4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

C15H21ClF3N3 — CID 177059886

IUPAC4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCCC1(CC)CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H21ClF3N3/c1-3-6-14(4-2)7-5-8-22(10-14)12-9-11(16)20-13(21-12)15(17,18)19/h9H,3-8,10H2,1-2H3
InChIKeyYBYMIJQSEGTIJV-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.95
Rot. Bonds4

About 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 177059886) has the molecular formula C15H21ClF3N3 and a molecular weight of 335.80 g/mol. Its IUPAC name is 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID177059886
Molecular FormulaC15H21ClF3N3
Molecular Weight335.80 g/mol
Exact Mass335.14
IUPAC Name4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCCCC1(CC)CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H21ClF3N3/c1-3-6-14(4-2)7-5-8-22(10-14)12-9-11(16)20-13(21-12)15(17,18)19/h9H,3-8,10H2,1-2H3
InChIKeyYBYMIJQSEGTIJV-UHFFFAOYSA-N
XLogP4.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(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 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 177059886) is 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is CCCC1(CC)CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is YBYMIJQSEGTIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N3/c1-3-6-14(4-2)7-5-8-22(10-14)12-9-11(16)20-13(21-12)15(17,18)19/h9H,3-8,10H2,1-2H3.
What are the key properties of 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 335.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-ethyl-3-propylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 177059886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).