1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one

C12H9F3N2O — CID 154488042

IUPAC1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCn1c(-c2ccccc2)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C12H9F3N2O/c1-17-9(8-5-3-2-4-6-8)7-10(12(13,14)15)16-11(17)18/h2-7H,1H3
InChIKeyNALZUFCZJHIKIA-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.47
Rot. Bonds1

About 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one

1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 154488042) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID154488042
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCn1c(-c2ccccc2)cc(C(F)(F)F)nc1=O
InChIInChI=1S/C12H9F3N2O/c1-17-9(8-5-3-2-4-6-8)7-10(12(13,14)15)16-11(17)18/h2-7H,1H3
InChIKeyNALZUFCZJHIKIA-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one (CID 154488042) is 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one is Cn1c(-c2ccccc2)cc(C(F)(F)F)nc1=O.
What is the InChIKey of 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is NALZUFCZJHIKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-17-9(8-5-3-2-4-6-8)7-10(12(13,14)15)16-11(17)18/h2-7H,1H3.
What are the key properties of 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one?
1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 254.21 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 154488042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).