(S)-2-[2-(4-Methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one

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Basic information

CAS: 503860-55-7
Standard SMILES: COc1ccc([C@H]2CN(c3nc(-c4ccncn4)cc(=O)n3C)CCO2)cc1
InChIKey: RNVKAFMBGLDRGV-GOSISDBHSA-N
Molecular formula: C20H21N5O3
Average molar mass: 379.4 g/mol
Monoisotopic mass: 379.16443953

Names & identifiers

Preferred name: (S)-2-[2-(4-Methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
IUPAC: 2-[(2S)-2-(4-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one

Names & synonyms

CHEMBL3091538SCHEMBL4030265RNVKAFMBGLDRGV-GOSISDBHSA-NDTXSID901136116BDBM50443879(S)-2-[2-(4-Methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one503860-55-72-[(2S)-2-(4-Methoxyphenyl)-4-morpholinyl]-1-methyl[4,4a(2)-bipyrimidin]-6(1H)-one2-[(2S)-2-(4-Methoxyphenyl)morpholin-4-yl]-1-methyl[4,4'-bipyrimidin]-6(1H)-one

Database identifiers

CAS: 503860-55-7
PubChem CID: 57798603
DTXSID: DTXSID901136116
ChEMBL: CHEMBL3091538

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 80.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 629

Related reactions

1 records

New reaction record

HRID 2100338As productuspto-grants-2009_08

Compound notes

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