1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine

C7H9F3N2 — CID 123625039

IUPAC1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine
SMILESCC1N=C(C(F)(F)F)C=CN1C
InChIInChI=1S/C7H9F3N2/c1-5-11-6(7(8,9)10)3-4-12(5)2/h3-5H,1-2H3
InChIKeyPRTRZVJLAKLFCR-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.79
Rot. Bonds

About 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine

1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine (PubChem CID 123625039) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine.

Molecular Properties

Compound Name1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine
PubChem CID123625039
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine
SMILESCC1N=C(C(F)(F)F)C=CN1C
InChIInChI=1S/C7H9F3N2/c1-5-11-6(7(8,9)10)3-4-12(5)2/h3-5H,1-2H3
InChIKeyPRTRZVJLAKLFCR-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine 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

1-Methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine-2-one
CID 15074802
1-Methyl-4-(trifluoromethyl)pyrimidine-2-thione
CID 10488040
N,1-dimethylpyridin-4-imine
CID 44303848
(Z)-4-N-methylidene-2-N-(2,2,2-trifluoroethyl)but-3-ene-2,4-diimine
CID 130413505
1-(chloromethyl)-4-(trifluoromethyl)-2H-pyrimidine
CID 141457229
[1-(2,2,2-trifluoroethyl)-2H-pyrimidin-4-yl]methanamine
CID 142654760
1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine
CID 143292396
1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane
CID 143459211
1-Ethyl-4-(trifluoromethyl)pyrimidin-2-imine
CID 149754516
1-Methyl-2-methylidene-4-(3,3,4,4,4-pentafluorobutyl)pyrimidine
CID 167172118
(E)-1-N-ethenyl-3-imino-1-N-methyl-1-(1,1,1-trifluoropropan-2-ylideneamino)but-1-ene-1,2-diamine
CID 174342694
1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine
CID 143459212

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine?
The IUPAC name of 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine (CID 123625039) is 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine.
What is the SMILES notation for 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine?
The canonical SMILES for 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine is CC1N=C(C(F)(F)F)C=CN1C.
What is the InChIKey of 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine?
The InChIKey is PRTRZVJLAKLFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5-11-6(7(8,9)10)3-4-12(5)2/h3-5H,1-2H3.
What are the key properties of 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine?
1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine has a molecular weight of 178.16 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(trifluoromethyl)-2H-pyrimidine is sourced from PubChem (CID 123625039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).