4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C16H13FN2O — CID 45066448

IUPAC4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=CC(c2ccccc2F)N1
InChIInChI=1S/C16H13FN2O/c17-13-9-5-4-8-12(13)15-10-14(18-16(20)19-15)11-6-2-1-3-7-11/h1-10,15H,(H2,18,19,20)
InChIKeyLPWAECCAZGAVOV-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.22
Rot. Bonds2

About 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one

4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 45066448) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID45066448
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=CC(c2ccccc2F)N1
InChIInChI=1S/C16H13FN2O/c17-13-9-5-4-8-12(13)15-10-14(18-16(20)19-15)11-6-2-1-3-7-11/h1-10,15H,(H2,18,19,20)
InChIKeyLPWAECCAZGAVOV-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 45066448) is 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=CC(c2ccccc2F)N1.
What is the InChIKey of 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is LPWAECCAZGAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-13-9-5-4-8-12(13)15-10-14(18-16(20)19-15)11-6-2-1-3-7-11/h1-10,15H,(H2,18,19,20).
What are the key properties of 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 268.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 45066448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).