2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one

C6H7F3N2O — CID 173379156

IUPAC2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C(F)(F)F)CC(=O)N1
InChIInChI=1S/C6H7F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h4H,2H2,1H3,(H,10,11,12)
InChIKeyJSFZVCVZVASFHQ-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.86
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one

2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 173379156) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID173379156
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1=NC(C(F)(F)F)CC(=O)N1
InChIInChI=1S/C6H7F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h4H,2H2,1H3,(H,10,11,12)
InChIKeyJSFZVCVZVASFHQ-UHFFFAOYSA-N
XLogP0.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(trifluoromethyl)-4,5-dihydro-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-methyl-2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173378934
2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173379095
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-3-ium-6-one
CID 173379155
2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 25210504
2-(2-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550981
4-methyl-2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 173378935
2,4-bis(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 173379096
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
2-ethyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 68346425
2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 89181426
4-ethyl-2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 130443966
2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 144474072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one (CID 173379156) is 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one is CC1=NC(C(F)(F)F)CC(=O)N1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is JSFZVCVZVASFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h4H,2H2,1H3,(H,10,11,12).
What are the key properties of 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one?
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 180.13 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 173379156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).