1-(5-Hydroxymethyl-pyrrolidin)-thymine

HCID 453373

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Basic information

CAS: 136883-94-8
Standard SMILES: Cc1cn(N2CC[C@@H](CO)C2)c(=O)[nH]c1=O
InChIKey: DEXYTRRTUWIAMD-MRVPVSSYSA-N
Molecular formula: C10H15N3O3
Average molar mass: 225.24 g/mol
Monoisotopic mass: 225.11134135

Names & identifiers

Preferred name: 1-(5-Hydroxymethyl-pyrrolidin)-thymine
IUPAC: 1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4-dione

Names & synonyms

136883-94-8AC1L9QXK1-(5-Hydroxymethyl-pyrrolidin)-thymineDTXSID603323741-[(1S,3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-methyl-pyrimidine-2,4-dione1-[(3R)-3-(Hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 1-[3-(hydroxymethyl)-1-pyrrolidinyl]-5-methyl-, (1)-

Database identifiers

CAS: 136883-94-8
PubChem CID: 453373
DTXSID: DTXSID60332374

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 353

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