4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one

C15H10FN3O — CID 136692272

IUPAC4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cncc(F)c2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H10FN3O/c16-12-6-11(8-17-9-12)13-7-14(20)19-15(18-13)10-4-2-1-3-5-10/h1-9H,(H,18,19,20)
InChIKeyPUKTXDUTXQMZOX-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.64
Rot. Bonds2

About 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one

4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 136692272) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID136692272
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cncc(F)c2)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C15H10FN3O/c16-12-6-11(8-17-9-12)13-7-14(20)19-15(18-13)10-4-2-1-3-5-10/h1-9H,(H,18,19,20)
InChIKeyPUKTXDUTXQMZOX-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136668740
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802824
4-(2-chloro-4-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769977
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
4-(4-chloro-2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769719
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128
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
3-(5-fluoro-3-pyridinyl)-1H-pyridazin-6-one
CID 106515794
2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136914532

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one (CID 136692272) is 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2cncc(F)c2)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is PUKTXDUTXQMZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-12-6-11(8-17-9-12)13-7-14(20)19-15(18-13)10-4-2-1-3-5-10/h1-9H,(H,18,19,20).
What are the key properties of 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one?
4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 267.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).