Ethyl n-{[4-amino-2-(benzyloxy)pyrimidin-5-yl]carbonyl}glycinate

HCID 286017

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Basic information

CAS: 64623-43-4
Standard SMILES: CCOC(=O)CNC(=O)c1cnc(OCc2ccccc2)nc1N
InChIKey: QLSPPOGKYMKCHH-UHFFFAOYSA-N
Molecular formula: C16H18N4O4
Average molar mass: 330.34 g/mol
Monoisotopic mass: 330.13280507

Names & identifiers

Preferred name: Ethyl n-{[4-amino-2-(benzyloxy)pyrimidin-5-yl]carbonyl}glycinate
IUPAC: ethyl 2-[(4-amino-2-phenylmethoxypyrimidine-5-carbonyl)amino]acetate

Names & synonyms

64623-43-4ethyl n-{[4-amino-2-(benzyloxy)pyrimidin-5-yl]carbonyl}glycinateNSC143694DTXSID70301490NSC-143694DS-002219Ethyl N-[4-amino-2-(benzyloxy)pyrimidine-5-carbonyl]glycinateGlycine,n-[[4-amino-2-(phenylmethoxy)-5-pyrimidinyl]carbonyl]-, ethyl ester

Database identifiers

CAS: 64623-43-4
PubChem CID: 286017
DTXSID: DTXSID70301490

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 116 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 415

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