Basic information
- Standard SMILES
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(NC(CO)CO)nc21- InChIKey
PTCBCWNZIKJDCM-UHFFFAOYSA-N- Molecular formula
- C19H23F2N5O5
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.16672518
Names & identifiers
- Preferred name
- 3-(2,6-Difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-(2-hydroxy-1-hydroxymethyl-ethylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
- IUPAC
- 3-(2,6-difluoro-3,5-dimethoxyphenyl)-7-(1,3-dihydroxypropan-2-ylamino)-1-ethyl-4H-pyrimido[4,5-d]pyrimidin-2-one
Names & synonyms
SCHEMBL4398327PTCBCWNZIKJDCM-UHFFFAOYSA-N3-(2,6-Difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-(2-hydroxy-1-hydroxymethyl-ethylamino)-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
Database identifiers
- PubChem CID
- 10410924
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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