1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one

C7H7F3N2O — CID 25169672

IUPAC1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCc1cc(C(F)(F)F)nc(=O)n1C
InChIInChI=1S/C7H7F3N2O/c1-4-3-5(7(8,9)10)11-6(13)12(4)2/h3H,1-2H3
InChIKeyQKHNAUJZPGPFPF-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.11
Rot. Bonds

About 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one

1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one (PubChem CID 25169672) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one
PubChem CID25169672
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one
SMILESCc1cc(C(F)(F)F)nc(=O)n1C
InChIInChI=1S/C7H7F3N2O/c1-4-3-5(7(8,9)10)11-6(13)12(4)2/h3H,1-2H3
InChIKeyQKHNAUJZPGPFPF-UHFFFAOYSA-N
XLogP1.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-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-6-(trifluoromethyl)pyrimidin-2-ol
CID 4913130
1,4,6-trimethylpyrimidin-2(1H)-one
CID 853977
1-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
1,4,6-Trimethyl-2-pyrimidone hydrochloride
CID 24213361
6-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25169675
(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl-trifluoroboranuide
CID 63701510
1,3,4,6-Tetramethylpyrimidin-1-ium-2-one
CID 853470
1,3,4,6-Tetramethylpyrimidin-1-ium-2-one chloride
CID 12097241
Potassium (4,6-dimethyl-2-oxopyrimidin-1-yl)methyl-trifluoroboranuide
CID 63701509

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one?
The IUPAC name of 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one (CID 25169672) is 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one?
The canonical SMILES for 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one is Cc1cc(C(F)(F)F)nc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one?
The InChIKey is QKHNAUJZPGPFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-4-3-5(7(8,9)10)11-6(13)12(4)2/h3H,1-2H3.
What are the key properties of 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one?
1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one has a molecular weight of 192.14 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(trifluoromethyl)pyrimidin-2-one is sourced from PubChem (CID 25169672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).