3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride

C14H22ClN5 — CID 174295280

IUPAC3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride
SMILESCC/N=c1\nc(C)n(C2CCCCC2)c2nc[nH]c12.Cl
InChIInChI=1S/C14H21N5.ClH/c1-3-15-13-12-14(17-9-16-12)19(10(2)18-13)11-7-5-4-6-8-11;/h9,11H,3-8H2,1-2H3,(H,16,17);1H/b15-13-;
InChIKeyKNPIJNZFZYITEQ-ZDCVYKBASA-N
MW295.82 g/mol
LogP2.92
Rot. Bonds2

About 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride

3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride (PubChem CID 174295280) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride
PubChem CID174295280
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride
SMILESCC/N=c1\nc(C)n(C2CCCCC2)c2nc[nH]c12.Cl
InChIInChI=1S/C14H21N5.ClH/c1-3-15-13-12-14(17-9-16-12)19(10(2)18-13)11-7-5-4-6-8-11;/h9,11H,3-8H2,1-2H3,(H,16,17);1H/b15-13-;
InChIKeyKNPIJNZFZYITEQ-ZDCVYKBASA-N
XLogP2.92
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride 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 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride?
The IUPAC name of 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride (CID 174295280) is 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride?
The canonical SMILES for 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride is CC/N=c1\nc(C)n(C2CCCCC2)c2nc[nH]c12.Cl.
What is the InChIKey of 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride?
The InChIKey is KNPIJNZFZYITEQ-ZDCVYKBASA-N. The full InChI is InChI=1S/C14H21N5.ClH/c1-3-15-13-12-14(17-9-16-12)19(10(2)18-13)11-7-5-4-6-8-11;/h9,11H,3-8H2,1-2H3,(H,16,17);1H/b15-13-;.
What are the key properties of 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride?
3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride has a molecular weight of 295.82 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-ethyl-2-methyl-7H-purin-6-imine;hydrochloride is sourced from PubChem (CID 174295280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).