4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine

C15H24ClN3 — CID 55230084

IUPAC4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24ClN3/c1-10-13(16)17-11(2)18-14(10)19-8-6-12(7-9-19)15(3,4)5/h12H,6-9H2,1-5H3
InChIKeyITAGAURHSOZEIE-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.01
Rot. Bonds1

About 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine

4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine (PubChem CID 55230084) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine
PubChem CID55230084
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24ClN3/c1-10-13(16)17-11(2)18-14(10)19-8-6-12(7-9-19)15(3,4)5/h12H,6-9H2,1-5H3
InChIKeyITAGAURHSOZEIE-UHFFFAOYSA-N
XLogP4.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine 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-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine (CID 55230084) is 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(N2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine?
The InChIKey is ITAGAURHSOZEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-10-13(16)17-11(2)18-14(10)19-8-6-12(7-9-19)15(3,4)5/h12H,6-9H2,1-5H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine?
4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine has a molecular weight of 281.83 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-6-chloro-2,5-dimethylpyrimidine is sourced from PubChem (CID 55230084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).