6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine

C13H13ClN6 — CID 114783346

IUPAC6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2cc(Cl)ccc2C)c2[nH]cnc2n1
InChIInChI=1S/C13H13ClN6/c1-7-3-4-8(14)5-9(7)18-12-10-11(17-6-16-10)19-13(15-2)20-12/h3-6H,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyKSTZOSFTXIKSEK-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.10
Rot. Bonds3

About 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine

6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine (PubChem CID 114783346) has the molecular formula C13H13ClN6 and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
PubChem CID114783346
Molecular FormulaC13H13ClN6
Molecular Weight288.74 g/mol
Exact Mass288.09
IUPAC Name6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(Nc2cc(Cl)ccc2C)c2[nH]cnc2n1
InChIInChI=1S/C13H13ClN6/c1-7-3-4-8(14)5-9(7)18-12-10-11(17-6-16-10)19-13(15-2)20-12/h3-6H,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyKSTZOSFTXIKSEK-UHFFFAOYSA-N
XLogP3.10
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-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

6-N-(2,5-dimethylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114783461
6-N-(4-chloro-2-iodophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107639033
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114786250
6-N-(3-bromo-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114785186
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787330
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
2-chloro-N-(2,6-difluoro-3-methylphenyl)-7H-purin-6-amine
CID 104787449
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784398
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine (CID 114783346) is 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine is CNc1nc(Nc2cc(Cl)ccc2C)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
The InChIKey is KSTZOSFTXIKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6/c1-7-3-4-8(14)5-9(7)18-12-10-11(17-6-16-10)19-13(15-2)20-12/h3-6H,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine?
6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine has a molecular weight of 288.74 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).