2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine

C6H7F3N2 — CID 11321140

IUPAC2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine
SMILESCC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H7F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-4,11H,1H3
InChIKeyOHSNCYJMJICARW-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.45
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine

2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine (PubChem CID 11321140) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine
PubChem CID11321140
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine
SMILESCC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H7F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-4,11H,1H3
InChIKeyOHSNCYJMJICARW-UHFFFAOYSA-N
XLogP1.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine (CID 11321140) is 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine is CC1N=CC=C(C(F)(F)F)N1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
The InChIKey is OHSNCYJMJICARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-4,11H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine?
2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine has a molecular weight of 164.13 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 11321140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).