4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine

C15H16F3N3 — CID 102754134

IUPAC4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2ccc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C15H16F3N3/c1-3-7-19-14-20-8-6-13(21-14)12-5-4-11(9-10(12)2)15(16,17)18/h4-6,8-9H,3,7H2,1-2H3,(H,19,20,21)
InChIKeyAKDLKWFZNYZBJL-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.29
Rot. Bonds4

About 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine

4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine (PubChem CID 102754134) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
PubChem CID102754134
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2ccc(C(F)(F)F)cc2C)n1
InChIInChI=1S/C15H16F3N3/c1-3-7-19-14-20-8-6-13(21-14)12-5-4-11(9-10(12)2)15(16,17)18/h4-6,8-9H,3,7H2,1-2H3,(H,19,20,21)
InChIKeyAKDLKWFZNYZBJL-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine 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-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
CID 102838569
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
N-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 102754120
2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70317978
[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol
CID 116899472
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903677
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
CID 113324799
[4-(2,4,5-trimethylphenyl)pyrimidin-2-yl]hydrazine
CID 116904155
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-propylpyrimidin-2-amine
CID 170573663
2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 102754278
N-benzyl-4-[6-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine
CID 142068787

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine (CID 102754134) is 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2ccc(C(F)(F)F)cc2C)n1.
What is the InChIKey of 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine?
The InChIKey is AKDLKWFZNYZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-7-19-14-20-8-6-13(21-14)12-5-4-11(9-10(12)2)15(16,17)18/h4-6,8-9H,3,7H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine?
4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 102754134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).