Crimidine
PubChem CID: 10813
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| Compound Synonyms | CRIMIDINE, 535-89-7, Castrix, Crimidin, 2-chloro-N,N,6-trimethylpyrimidin-4-amine, Crimidina, 2-Chloro-4-dimethylamino-6-methylpyrimidine, Crimidin [German], Crimidina [Italian], Caswell No. 188, Crimidine [ISO:BSI], NSC 2017, W 491, W-491, HSDB 2812, Pyrimidine, 2-chloro-4-(dimethylamino)-6-methyl-, 2-Cloro-4-dimetilamino-6-metil-pirimidina, 2-Chloro-N,N-6-trimethyl-4-pyrimidinamine, EINECS 208-622-6, 2-Chloor-4-dimethylamino-6-methyl-pyrimidine, 2-Chloro-4-dimethylamino-6-methyl-pyrimidine, EPA Pesticide Chemical Code 288200, BRN 0127995, UNII-W34R2923T3, 2-Chlor-4-dimethylamino-6-methylpyrimidin, AI3-61801, 2-Chloro-4-methyl-6-dimethylaminopyrimidine, 2-Chloro-N,N,6-trimethylpyrimidin-4-ylamine, CRIMIDINE [ISO], CRIMIDINE [MI], NSC-2017, CRIMIDINE [HSDB], 4-Pyrimidinamine, 2-chloro-N,N,6-trimethyl-, W34R2923T3, 2-Chlor-4-dimethylamino-6-methylpyrimidin [German], 2-Cloro-4-dimetilamino-6-metil-pirimidina [Italian], 2-Chloor-4-dimethylamino-6-methyl-pyrimidine [Dutch], DTXSID0041800, CHEBI:82258, 2-Chloro-4-(dimethylamino)-6-methylpyrimidine, 2-Chloro-4-methyl-6-(dimethylamino)pyrimidine, (2-chloro-6-methylpyrimidin-4-yl)dimethylamine, 2-CHLORO-N,N,6-TRIMETHYL-4-PYRIMIDINAMINE, 4-25-00-02184 (Beilstein Handbook Reference), CRIMIDIN (GERMAN), CRIMIDINA (ITALIAN), 2-Chloro-4-(dimethylamino)-6-methyl-pyrimidine, 2-CHLOOR-4-DIMETHYLAMINO-6-METHYL-PYRIMIDINE (DUTCH), 2-CLORO-4-DIMETILAMINO-6-METIL-PIRIMIDINA (ITALIAN), CRIMITOX, (2-chloro-6-methyl-pyrimidin-4-yl)-dimethyl-amine, SCHEMBL432253, CHEMBL1607733, DTXCID8021800, 4-Pyrimidinamine,N,6-trimethyl-, NSC2017, 2Cloro4dimetilamino6metilpirimidina, 2Chlor4dimethylamino6methylpyrimidin, 2ChloroN,N6trimethyl4pyrimidinamine, MFCD00055517, STK377491, 2Chloor4dimethylamino6methylpyrimidine, 2Chloro4dimethylamino6methylpyrimidine, 2Chloro4methyl6dimethylaminopyrimidine, 2ChloroN,N,6trimethylpyrimidin4ylamine, AKOS005177522, WLN: T6N CNJ BG DN1&1 F1, 4Pyrimidinamine, 2chloroN,N,6trimethyl, Crimidine 10 microg/mL in Acetonitrile, NCGC00166162-01, AS-54836, Pyrimidine, 2chloro4(dimethylamino)6methyl, DB-071707, NS00004032, 2-chloro-4-dimethylamino-6-methyl pyrimidine, Crimidine, PESTANAL(R), analytical standard, EN300-27754, C19138, C67432, Pyrimidine, 2-chloro-4-dimethylamino-6-methyl, W10442, 2-CHLORO-N,6-TRIMETHYL-4-PYRIMIDINAMINE, A853931, Q2645488, 2-CHLORO-N,N,6-TRIMETHYL-4-PYRIMIDIN-4-AMINE, F1905-0504, 208-622-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ccccncn6)Cl)))NC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organonitrogen compounds |
| Scaffold Graph Node Level | C1CNCNC1 |
| Classyfire Subclass | Amines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-chloro-N,N,6-trimethylpyrimidin-4-amine |
| Veber Rule | True |
| Classyfire Superclass | Organic nitrogen compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10ClN3 |
| Scaffold Graph Node Bond Level | c1cncnc1 |
| Inchi Key | HJIUPFPIEBPYIE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | crimidine |
| Esol Class | Soluble |
| Functional Groups | cCl, cN(C)C, cnc |
| Compound Name | Crimidine |
| Exact Mass | 171.056 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 171.056 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 171.63 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3 |
| Smiles | CC1=CC(=NC(=N1)Cl)N(C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:ISBN:9788172362140; ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Crinum Zeylanicum (Plant) Rel Props:Reference:ISBN:9788172362133