4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine

C13H22N4 — CID 80770074

IUPAC4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCCC2)c1CC
InChIInChI=1S/C13H22N4/c1-3-11-12(14-4-2)15-9-16-13(11)17-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyIUGMHXPTVZDPOX-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.83
Rot. Bonds5

About 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine

4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine (PubChem CID 80770074) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
PubChem CID80770074
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCCC2)c1CC
InChIInChI=1S/C13H22N4/c1-3-11-12(14-4-2)15-9-16-13(11)17-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyIUGMHXPTVZDPOX-UHFFFAOYSA-N
XLogP2.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine 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-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine (CID 80770074) is 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine is CCNc1ncnc(NC2CCCC2)c1CC.
What is the InChIKey of 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine?
The InChIKey is IUGMHXPTVZDPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11-12(14-4-2)15-9-16-13(11)17-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine?
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80770074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).