2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine

C17H27ClN6O — CID 11417274

IUPAC2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine
SMILESCOCCN(C)CCn1cnc2c(NC3CCCCC3)nc(Cl)nc21
InChIInChI=1S/C17H27ClN6O/c1-23(10-11-25-2)8-9-24-12-19-14-15(21-17(18)22-16(14)24)20-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyLSYZQDIWDHHGTB-UHFFFAOYSA-N
MW366.90 g/mol
LogP2.80
Rot. Bonds8

About 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine

2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine (PubChem CID 11417274) has the molecular formula C17H27ClN6O and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine
PubChem CID11417274
Molecular FormulaC17H27ClN6O
Molecular Weight366.90 g/mol
Exact Mass366.19
IUPAC Name2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine
SMILESCOCCN(C)CCn1cnc2c(NC3CCCCC3)nc(Cl)nc21
InChIInChI=1S/C17H27ClN6O/c1-23(10-11-25-2)8-9-24-12-19-14-15(21-17(18)22-16(14)24)20-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,20,21,22)
InChIKeyLSYZQDIWDHHGTB-UHFFFAOYSA-N
XLogP2.80
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-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 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine?
The IUPAC name of 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine (CID 11417274) is 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine.
What is the SMILES notation for 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine?
The canonical SMILES for 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine is COCCN(C)CCn1cnc2c(NC3CCCCC3)nc(Cl)nc21.
What is the InChIKey of 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine?
The InChIKey is LSYZQDIWDHHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN6O/c1-23(10-11-25-2)8-9-24-12-19-14-15(21-17(18)22-16(14)24)20-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine?
2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine has a molecular weight of 366.90 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-9-[2-[2-methoxyethyl(methyl)amino]ethyl]purin-6-amine is sourced from PubChem (CID 11417274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).