6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine

C13H20N6 — CID 11334464

IUPAC6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-2-14-13-18-11-10(15-8-16-11)12(19-13)17-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyXHOVJLBZYXEITR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.53
Rot. Bonds4

About 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 11334464) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID11334464
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-2-14-13-18-11-10(15-8-16-11)12(19-13)17-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyXHOVJLBZYXEITR-UHFFFAOYSA-N
XLogP2.53
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
6-Dimethylaminopurine
CID 3134
Isopentenyladenine
CID 92180
N6-Methyladenine
CID 67955
2-Fluoroadenine
CID 12790
Adenine hydrochloride
CID 76219
2-Methyladenine
CID 15048
9-Cyclopentyladenine
CID 12852
2-Chloroadenine
CID 94904
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
6-(4-methylpiperazin-1-yl)-7H-purine
CID 756701

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine (CID 11334464) is 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine is CCNc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is XHOVJLBZYXEITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-2-14-13-18-11-10(15-8-16-11)12(19-13)17-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H3,14,15,16,17,18,19).
What are the key properties of 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 11334464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).