4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine

C15H25N3 — CID 134171591

IUPAC4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine
SMILESCCC1CCN(c2nccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H25N3/c1-5-12-7-10-18(11-8-12)14-16-9-6-13(17-14)15(2,3)4/h6,9,12H,5,7-8,10-11H2,1-4H3
InChIKeyWFEWBCPRPPINFY-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.40
Rot. Bonds2

About 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine

4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine (PubChem CID 134171591) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine
PubChem CID134171591
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine
SMILESCCC1CCN(c2nccc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H25N3/c1-5-12-7-10-18(11-8-12)14-16-9-6-13(17-14)15(2,3)4/h6,9,12H,5,7-8,10-11H2,1-4H3
InChIKeyWFEWBCPRPPINFY-UHFFFAOYSA-N
XLogP3.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-(4-ethylpiperidin-1-yl)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-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine (CID 134171591) is 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine is CCC1CCN(c2nccc(C(C)(C)C)n2)CC1.
What is the InChIKey of 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine?
The InChIKey is WFEWBCPRPPINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-12-7-10-18(11-8-12)14-16-9-6-13(17-14)15(2,3)4/h6,9,12H,5,7-8,10-11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine?
4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 134171591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).