Basic information
- Standard SMILES
COc1cc(OC)c(F)c(N2Cc3cnc(NCC(O)C(C)O)nc3N(C3CCCC3)C2=O)c1F- InChIKey
HKLPUCLEDSPDLM-UHFFFAOYSA-N- Molecular formula
- C23H29F2N5O5
- Average molar mass
- 493.5 g/mol
- Monoisotopic mass
- 493.21367537
Names & identifiers
- Preferred name
- 1-Cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(2,3-dihydroxy-butylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
- IUPAC
- 1-cyclopentyl-3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(2,3-dihydroxybutylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
Names & synonyms
SCHEMBL4399266HKLPUCLEDSPDLM-UHFFFAOYSA-N1-Cyclopentyl-3-(2,6-difluoro-3,5-dimethoxy-phenyl)-7-(2,3-dihydroxy-butylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
Database identifiers
- PubChem CID
- 10345580
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 704
Related reactions
2 records
Compound notes
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