1-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methylamino)pyrimidine-2,4-dione

HCID 433161

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Basic information

CAS: 83967-05-9
Standard SMILES: CNc1cn(C2CC(O)C(CO)C2)c(=O)[nH]c1=O
InChIKey: TXTMUCREBBBNPR-UHFFFAOYSA-N
Molecular formula: C11H17N3O4
Average molar mass: 255.27 g/mol
Monoisotopic mass: 255.12190603

Names & identifiers

Preferred name: 1-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methylamino)pyrimidine-2,4-dione
IUPAC: 1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methylamino)pyrimidine-2,4-dione

Names & synonyms

NSC32405983967-05-9CHEMBL42256SCHEMBL11194925DTXSID90330863NSC-324059DS-0085521-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methylamino)pyrimidine-2,4(1H,3H)-dione1-[3-Hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylamino-pyrimidine-2,4-dione

Database identifiers

CAS: 83967-05-9
PubChem CID: 433161
DTXSID: DTXSID90330863
ChEMBL: CHEMBL42256

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 102 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 396

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