N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine

C17H31N3 — CID 71107416

IUPACN-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine
SMILESCCCCN(c1ccnc(CC)n1)C(CCC)CCC
InChIInChI=1S/C17H31N3/c1-5-9-14-20(15(10-6-2)11-7-3)17-12-13-18-16(8-4)19-17/h12-13,15H,5-11,14H2,1-4H3
InChIKeyWNTALGAIZLJXID-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.61
Rot. Bonds10

About N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine

N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine (PubChem CID 71107416) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine
PubChem CID71107416
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine
SMILESCCCCN(c1ccnc(CC)n1)C(CCC)CCC
InChIInChI=1S/C17H31N3/c1-5-9-14-20(15(10-6-2)11-7-3)17-12-13-18-16(8-4)19-17/h12-13,15H,5-11,14H2,1-4H3
InChIKeyWNTALGAIZLJXID-UHFFFAOYSA-N
XLogP4.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-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 N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine?
The IUPAC name of N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine (CID 71107416) is N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine?
The canonical SMILES for N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine is CCCCN(c1ccnc(CC)n1)C(CCC)CCC.
What is the InChIKey of N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine?
The InChIKey is WNTALGAIZLJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-9-14-20(15(10-6-2)11-7-3)17-12-13-18-16(8-4)19-17/h12-13,15H,5-11,14H2,1-4H3.
What are the key properties of N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine?
N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-N-heptan-4-ylpyrimidin-4-amine is sourced from PubChem (CID 71107416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).