4-Amino-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Basic information
- CAS
74560-43-3- Standard SMILES
Nc1ccn(C2CC(CO)CC2O)c(=O)n1- InChIKey
ADZISMWWECFDDR-UHFFFAOYSA-N- Molecular formula
- C10H15N3O3
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.11134135
Names & identifiers
- Preferred name
- 4-Amino-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
- IUPAC
- 4-amino-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Names & synonyms
74560-43-3NSC2781834-amino-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-oneCHEMBL50601SCHEMBL11488308DTXSID50313894NSC-2781834-Amino-1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2(1H)-one
Database identifiers
- CAS
74560-43-3- PubChem CID
- 322159
- DTXSID
DTXSID50313894- ChEMBL
CHEMBL50601
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
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Compound notes
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