N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine

C15H26N4 — CID 50971967

IUPACN-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCCN1CCCCCC1
InChIInChI=1S/C15H26N4/c1-3-14-12-17-13(2)18-15(14)16-8-11-19-9-6-4-5-7-10-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyBYSWFQNZODCTOD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine

N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine (PubChem CID 50971967) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine
PubChem CID50971967
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCCN1CCCCCC1
InChIInChI=1S/C15H26N4/c1-3-14-12-17-13(2)18-15(14)16-8-11-19-9-6-4-5-7-10-19/h12H,3-11H2,1-2H3,(H,16,17,18)
InChIKeyBYSWFQNZODCTOD-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-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-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine (CID 50971967) is N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine is CCc1cnc(C)nc1NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is BYSWFQNZODCTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-14-12-17-13(2)18-15(14)16-8-11-19-9-6-4-5-7-10-19/h12H,3-11H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine?
N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-5-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 50971967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).