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

C18H22N6 — CID 15366659

IUPAC2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine
SMILESc1ccc(CNc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H22N6/c1-3-7-13(8-4-1)11-19-18-23-16-15(20-12-21-16)17(24-18)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H3,19,20,21,22,23,24)
InChIKeyNPPHTZNKBUCRPG-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.71
Rot. Bonds5

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

2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine (PubChem CID 15366659) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine
PubChem CID15366659
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine
SMILESc1ccc(CNc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H22N6/c1-3-7-13(8-4-1)11-19-18-23-16-15(20-12-21-16)17(24-18)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H3,19,20,21,22,23,24)
InChIKeyNPPHTZNKBUCRPG-UHFFFAOYSA-N
XLogP3.71
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-benzyl-6-N-cyclohexyl-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

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine?
The IUPAC name of 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine (CID 15366659) is 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine is c1ccc(CNc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine?
The InChIKey is NPPHTZNKBUCRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-3-7-13(8-4-1)11-19-18-23-16-15(20-12-21-16)17(24-18)22-14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2,(H3,19,20,21,22,23,24).
What are the key properties of 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine?
2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine has a molecular weight of 322.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-N-cyclohexyl-7H-purine-2,6-diamine is sourced from PubChem (CID 15366659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).