1-Cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(2-hydroxy-1-hydroxymethyl-ethylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

HCID 10073838
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Basic information

Standard SMILES
COc1cc(OC)c(F)c(N2Cc3cnc(NC(CO)CO)nc3N(C3CCCC3)C2=O)c1F
InChIKey
RVRCGISFSVFVBW-UHFFFAOYSA-N
Molecular formula
C22H27F2N5O5
Average molar mass
479.5 g/mol
Monoisotopic mass
479.1980253

Names & identifiers

Preferred name
1-Cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(2-hydroxy-1-hydroxymethyl-ethylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
IUPAC
1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dihydroxypropan-2-ylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

Names & synonyms

SCHEMBL4398520RVRCGISFSVFVBW-UHFFFAOYSA-N1-Cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(2-hydroxy-1-hydroxymethyl-ethylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

Database identifiers

PubChem CID
10073838

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
120 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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