6-N-(4-chlorophenyl)-7H-purine-2,6-diamine

C11H9ClN6 — CID 14091121

IUPAC6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2)c2[nH]cnc2n1
InChIInChI=1S/C11H9ClN6/c12-6-1-3-7(4-2-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H4,13,14,15,16,17,18)
InChIKeyNTKUSIHPGLXJHI-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.33
Rot. Bonds2

About 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine

6-N-(4-chlorophenyl)-7H-purine-2,6-diamine (PubChem CID 14091121) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
PubChem CID14091121
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name6-N-(4-chlorophenyl)-7H-purine-2,6-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2)c2[nH]cnc2n1
InChIInChI=1S/C11H9ClN6/c12-6-1-3-7(4-2-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H4,13,14,15,16,17,18)
InChIKeyNTKUSIHPGLXJHI-UHFFFAOYSA-N
XLogP2.33
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-methylsulfanyl-7H-purin-6-amine
CID 25168541
6-N-(2-bromo-4-chlorophenyl)-7H-purine-2,6-diamine
CID 114785747
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178
4-[(2-amino-7H-purin-6-yl)amino]benzene-1,2-dicarbonitrile
CID 107795021
6-N-(3-bromo-4-methylphenyl)-7H-purine-2,6-diamine
CID 114785187
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085
5-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 80761203
2-[(2-amino-7H-purin-6-yl)amino]-6-fluorobenzonitrile
CID 114783970

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine (CID 14091121) is 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine is Nc1nc(Nc2ccc(Cl)cc2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine?
The InChIKey is NTKUSIHPGLXJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-6-1-3-7(4-2-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H4,13,14,15,16,17,18).
What are the key properties of 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine?
6-N-(4-chlorophenyl)-7H-purine-2,6-diamine has a molecular weight of 260.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorophenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 14091121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).