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

C16H11FN2O — CID 136692393

IUPAC4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2F)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H11FN2O/c17-13-9-5-4-8-12(13)14-10-15(20)19-16(18-14)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)
InChIKeyRRLJDWSILPNSCU-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.24
Rot. Bonds2

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

4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 136692393) has the molecular formula C16H11FN2O and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID136692393
Molecular FormulaC16H11FN2O
Molecular Weight266.28 g/mol
Exact Mass266.09
IUPAC Name4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2F)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H11FN2O/c17-13-9-5-4-8-12(13)14-10-15(20)19-16(18-14)11-6-2-1-3-7-11/h1-10H,(H,18,19,20)
InChIKeyRRLJDWSILPNSCU-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769719
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769977
2-(2-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136668742
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692272
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
2-phenyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136955770
4-(furan-2-yl)-2-phenyl-1H-pyrimidin-6-one
CID 136692919
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one (CID 136692393) is 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2F)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is RRLJDWSILPNSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O/c17-13-9-5-4-8-12(13)14-10-15(20)19-16(18-14)11-6-2-1-3-7-11/h1-10H,(H,18,19,20).
What are the key properties of 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one?
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 266.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).