2-Amino-4-hydroxypteridine
PubChem CID: 135398660
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pterin, 2-Amino-4-hydroxypteridine, 2236-60-4, Pterine, Pteridoxamine, 2-aminopteridin-4-ol, 4-Oxopterin, 2-Amino-4-pteridone, 2-aminopteridin-4(3H)-one, 2-Amino-1H-pteridin-4-one, 2-Amino-4-oxopteridine, 2-Amino-4(3H)-pteridinone, 2-Amino-4(1H)-pteridinone, 2-Amino-4-hydroxy-1H-pteridine, 2-AMINO-4-HYDROXY-PTERIDINE, Quinonoid dihydropterin, 2-amino-, Pterin (VAN), 2-Amino-4-pteridinol, NSC 11540, NSC 18696, 2-amino-3H-pteridin-4-one, NSC 170929, 85MA24E1NH, 938-42-1, EINECS 218-799-1, NSC-11540, NSC-18696, NSC-170929, CHEMBL278009, CHEBI:18265, DTXSID40176894, 2-amino-3,4-dihydropteridin-4-one, CID 73000, MFCD01456481, PE0, 2-desaminoaminopterin, Pterine, ~95%, 2-Aminopteridin-4-one, 4-Oxo-2-aminopteridine, UNII-85MA24E1NH, Oprea1_553855, SCHEMBL64320, 2-aminopteridin-4(1H)-one, 2-DESAMINO-AMINOPTERIN, 2-amino-Quinonoid dihydropterin, pteridine, 2-amino-4-hydroxy-, 4(3H)-pteridinone, 2-amino-, DTXCID3099385, CHEBI:26374, CHEBI:37105, CHEBI:44992, CHEBI:73184, HMS1619F05, Pterine, >=97.0% (HPLC), NSC11540, NSC18696, 2-amino-4,8-dihydropteridin-4-one, BDBM50125772, NSC170929, STL513120, AKOS001714431, AKOS022636522, FA12181, AC-28118, SY074276, TS-00118, DB-045886, CS-0094341, NS00027152, C00715, EN300-248741, Q386702, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine, Pterin, InChI=1/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12 |
|---|---|
| Topological Polar Surface Area | 93.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Description | Pterin is a chemical compound composed of a pyrazine ring and a pyrimidine ring, Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring (a pteridine ring system), the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring., the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. Pterin belongs to the pteridine family of heterocycles. -- Wikipedia. Pterin is found in soy bean. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 238.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3H-pteridin-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.4 |
| Is Pains | False |
| Molecular Formula | C6H5N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HNXQXTQTPAJEJL-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-amino-1H-pteridin-4-one, 2-amino-3H-pteridin-4-one, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine, 2-Amino-4-oxopteridine, 2-amino-4-pteridinol, 2-Amino-4-pteridone, 2-Amino-4(1H)-pteridinone, 2-Amino-4(3H)-pteridinone, 2-amino-Quinonoid dihydropterin, 2-aminopteridin-4-ol, 2-Aminopteridin-4-one, 2-aminopteridin-4(1H)-one, 2-aminopteridin-4(3H)-one, 4-Oxo-2-aminopteridine, 4-Oxopterin, 4(1H)-Pteridinone, 2-amino-, 4(3H)-pteridinone, 2-amino-, H2-pterin, Pteridoxamine, Pterin (van), Pterine, Quinonoid dihydropterin, 2-amino- |
| Compound Name | 2-Amino-4-hydroxypteridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.049 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 163.049 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 163.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5815346666666665 |
| Inchi | InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12) |
| Smiles | C1=CN=C2C(=N1)C(=O)NC(=N2)N |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all