2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine

C17H18F3N3 — CID 3238445

IUPAC2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H18F3N3/c1-12-7-9-23(10-8-12)16-21-14(13-5-3-2-4-6-13)11-15(22-16)17(18,19)20/h2-6,11-12H,7-10H2,1H3
InChIKeyLMXJWHIMXNCRLH-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.40
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine

2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 3238445) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID3238445
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H18F3N3/c1-12-7-9-23(10-8-12)16-21-14(13-5-3-2-4-6-13)11-15(22-16)17(18,19)20/h2-6,11-12H,7-10H2,1H3
InChIKeyLMXJWHIMXNCRLH-UHFFFAOYSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine 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-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine (CID 3238445) is 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine is CC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is LMXJWHIMXNCRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3/c1-12-7-9-23(10-8-12)16-21-14(13-5-3-2-4-6-13)11-15(22-16)17(18,19)20/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine?
2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 321.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 3238445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).