4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

C16H10F3N3O — CID 139891889

IUPAC4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)12-3-1-11(2-4-12)15-21-13(9-14(23)22-15)10-5-7-20-8-6-10/h1-9H,(H,21,22,23)
InChIKeyGLBKNXZGLUCTNH-UHFFFAOYSA-N
MW317.27 g/mol
LogP3.52
Rot. Bonds2

About 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one

4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 139891889) has the molecular formula C16H10F3N3O and a molecular weight of 317.27 g/mol. Its IUPAC name is 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID139891889
Molecular FormulaC16H10F3N3O
Molecular Weight317.27 g/mol
Exact Mass317.08
IUPAC Name4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C16H10F3N3O/c17-16(18,19)12-3-1-11(2-4-12)15-21-13(9-14(23)22-15)10-5-7-20-8-6-10/h1-9H,(H,21,22,23)
InChIKeyGLBKNXZGLUCTNH-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464
5-[6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-4-yl]-2H-triazole-4-carbonitrile
CID 137146927
2-(2-fluorophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136668742
2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135418402
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-[4-(piperidin-1-ylmethyl)phenyl]-4-pyridin-4-yl-1H-pyrimidin-6-one;bis(2,2,2-trifluoroacetic acid)
CID 154890395
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
CID 136993255
6-pyridin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515496
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 139891889) is 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is GLBKNXZGLUCTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O/c17-16(18,19)12-3-1-11(2-4-12)15-21-13(9-14(23)22-15)10-5-7-20-8-6-10/h1-9H,(H,21,22,23).
What are the key properties of 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 317.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 139891889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).