N-Amino-N-(2-hydroxyethyl)cytidine

HCID 149097

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Basic information

CAS: 100997-66-8
Standard SMILES: NN(CCO)c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
InChIKey: YDRMAQKZAVRJEZ-PEBGCTIMSA-N
Molecular formula: C11H18N4O6
Average molar mass: 302.28 g/mol
Monoisotopic mass: 302.12263431

Names & identifiers

Preferred name: N-Amino-N-(2-hydroxyethyl)cytidine
IUPAC: 4-[amino(2-hydroxyethyl)amino]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Names & synonyms

N-Amino-N-(2-hydroxyethyl)cytidine100997-66-8CCRIS 2532DTXSID701436101-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-(1-(2-hydroxyethyl)hydrazineyl)pyrimidin-2(1H)-one2(1H)-Pyrimidinone, 4-[1-(2-hydroxyethyl)hydrazino]-1-beta-D-ribofuranosyl- (9CI)4-[1-(2-Hydroxyethyl)hydrazin-1-yl]-1-beta-D-ribofuranosylpyrimidin-2(1H)-one

Database identifiers

CAS: 100997-66-8
PubChem CID: 149097
DTXSID: DTXSID70143610

Properties

Computed structural properties

XLogP: -3
Topological polar surface area: 152 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 456

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