2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine

C12H10F3N3 — CID 114207088

IUPAC2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCc1ccccc1-c1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3/c1-7-4-2-3-5-8(7)11-17-6-9(16)10(18-11)12(13,14)15/h2-6H,16H2,1H3
InChIKeyKJAKWWPJFYQPSD-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.05
Rot. Bonds1

About 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine

2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 114207088) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine
PubChem CID114207088
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine
SMILESCc1ccccc1-c1ncc(N)c(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3/c1-7-4-2-3-5-8(7)11-17-6-9(16)10(18-11)12(13,14)15/h2-6H,16H2,1H3
InChIKeyKJAKWWPJFYQPSD-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine 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-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine (CID 114207088) is 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine is Cc1ccccc1-c1ncc(N)c(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is KJAKWWPJFYQPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-7-4-2-3-5-8(7)11-17-6-9(16)10(18-11)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine?
2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 253.23 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 114207088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).