4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

C12H8F4N2O — CID 136802815

IUPAC4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]c(C(F)(F)F)n2)ccc1F
InChIInChI=1S/C12H8F4N2O/c1-6-4-7(2-3-8(6)13)9-5-10(19)18-11(17-9)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyUKXHVZOYMNDQCN-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.90
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802815) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802815
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]c(C(F)(F)F)n2)ccc1F
InChIInChI=1S/C12H8F4N2O/c1-6-4-7(2-3-8(6)13)9-5-10(19)18-11(17-9)12(14,15)16/h2-5H,1H3,(H,17,18,19)
InChIKeyUKXHVZOYMNDQCN-UHFFFAOYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
4-(3-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000859
4-(3-bromo-2,6-difluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136767104
4-(3-methoxyphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802817
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
4-pyrimidin-5-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000861
4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802824
2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 136741276
4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563210
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
2-(4-fluoro-3-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 135985118
2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one
CID 136692476

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802815) is 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(-c2cc(=O)[nH]c(C(F)(F)F)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is UKXHVZOYMNDQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-6-4-7(2-3-8(6)13)9-5-10(19)18-11(17-9)12(14,15)16/h2-5H,1H3,(H,17,18,19).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 272.20 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).