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

C6H5F3N2O — CID 15074802

IUPAC1-methyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCn1ccc(C(F)(F)F)nc1=O
InChIInChI=1S/C6H5F3N2O/c1-11-3-2-4(6(7,8)9)10-5(11)12/h2-3H,1H3
InChIKeyYVXVDOMNMRAXPW-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.80
Rot. Bonds

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

1-methyl-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 15074802) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID15074802
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name1-methyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCn1ccc(C(F)(F)F)nc1=O
InChIInChI=1S/C6H5F3N2O/c1-11-3-2-4(6(7,8)9)10-5(11)12/h2-3H,1H3
InChIKeyYVXVDOMNMRAXPW-UHFFFAOYSA-N
XLogP0.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrimidin-2(1H)-one
CID 20494286
5-Fluoro-1,4-dimethylpyrimidin-2-one
CID 58719910
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 67473381
1-(3,3-Difluorobutan-2-yl)-4-ethylpyrimidin-2-one
CID 123495237
1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine
CID 123625039
4-Fluoro-1-methylpyrimidin-2-one
CID 137381030
4-(trifluoromethyl)-2H-pyrimidine-1-carbaldehyde
CID 140138221
1-Prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172760
1-(2-Fluoroethyl)-4-methylpyrimidin-2-one
CID 130485278
Trifluoro-[(4-methyl-2-oxopyrimidin-1-yl)methyl]boranuide
CID 133626074
1,4-bis(trifluoromethyl)-2H-pyrimidine
CID 157691412
4-Ethyl-1-methylpyrimidin-2-one
CID 58719935

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyrimidin-2-one (CID 15074802) is 1-methyl-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyrimidin-2-one is Cn1ccc(C(F)(F)F)nc1=O.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is YVXVDOMNMRAXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-11-3-2-4(6(7,8)9)10-5(11)12/h2-3H,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)pyrimidin-2-one?
1-methyl-4-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 178.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 15074802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).