6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine

C11H7Cl2N5 — CID 24973249

IUPAC6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine
SMILESNc1nc(Cl)c2[nH]c(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C11H7Cl2N5/c12-6-3-1-2-5(4-6)9-15-7-8(13)16-11(14)18-10(7)17-9/h1-4H,(H3,14,15,16,17,18)
InChIKeyXCCSWJFGYNQBBL-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.91
Rot. Bonds1

About 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine

6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine (PubChem CID 24973249) has the molecular formula C11H7Cl2N5 and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine
PubChem CID24973249
Molecular FormulaC11H7Cl2N5
Molecular Weight280.12 g/mol
Exact Mass279.01
IUPAC Name6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine
SMILESNc1nc(Cl)c2[nH]c(-c3cccc(Cl)c3)nc2n1
InChIInChI=1S/C11H7Cl2N5/c12-6-3-1-2-5(4-6)9-15-7-8(13)16-11(14)18-10(7)17-9/h1-4H,(H3,14,15,16,17,18)
InChIKeyXCCSWJFGYNQBBL-UHFFFAOYSA-N
XLogP2.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine 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

4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 134149549
1-[4-[2-amino-8-(3-hydroxyphenyl)-7H-purin-6-yl]piperazin-1-yl]-2-(3-chlorophenyl)ethanone
CID 110194560
8-(3-chlorophenyl)-3-methyl-7H-purine-2,6-dione
CID 112688099
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
3-(3-chlorophenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135957060
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
6-chloro-8-(3-methoxyphenyl)-7H-purine
CID 24903924
6-chloro-8-[3-(trifluoromethyl)phenyl]-7H-purine
CID 24903925
1-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-2-(3-chlorophenyl)ethanone
CID 110194555
6-chloro-8-phenyl-7H-purine
CID 15363167
5-(3-chlorophenyl)-1H-pyrrol-2-amine
CID 117222744
2-(3-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1H-purin-6-one
CID 135709102

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine?
The IUPAC name of 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine (CID 24973249) is 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine.
What is the SMILES notation for 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine?
The canonical SMILES for 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine is Nc1nc(Cl)c2[nH]c(-c3cccc(Cl)c3)nc2n1.
What is the InChIKey of 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine?
The InChIKey is XCCSWJFGYNQBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5/c12-6-3-1-2-5(4-6)9-15-7-8(13)16-11(14)18-10(7)17-9/h1-4H,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine?
6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine has a molecular weight of 280.12 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(3-chlorophenyl)-7H-purin-2-amine is sourced from PubChem (CID 24973249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).