5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine

C16H28N4O — CID 72850548

IUPAC5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCCCc1c(C)nc(N)nc1N1CCC(OCC)CC1
InChIInChI=1S/C16H28N4O/c1-4-6-7-14-12(3)18-16(17)19-15(14)20-10-8-13(9-11-20)21-5-2/h13H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeyYUZAXCZLWBEBJA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds6

About 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine

5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 72850548) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID72850548
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCCCc1c(C)nc(N)nc1N1CCC(OCC)CC1
InChIInChI=1S/C16H28N4O/c1-4-6-7-14-12(3)18-16(17)19-15(14)20-10-8-13(9-11-20)21-5-2/h13H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeyYUZAXCZLWBEBJA-UHFFFAOYSA-N
XLogP2.72
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine (CID 72850548) is 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine is CCCCc1c(C)nc(N)nc1N1CCC(OCC)CC1.
What is the InChIKey of 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is YUZAXCZLWBEBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-7-14-12(3)18-16(17)19-15(14)20-10-8-13(9-11-20)21-5-2/h13H,4-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine?
5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(4-ethoxypiperidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 72850548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).