2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine

C12H9Cl2N5 — CID 59293637

IUPAC2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine
SMILESCn1cnc2c(Nc3ccc(Cl)cc3)nc(Cl)nc21
InChIInChI=1S/C12H9Cl2N5/c1-19-6-15-9-10(17-12(14)18-11(9)19)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17,18)
InChIKeyPAUVGXDGVUVGAL-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.41
Rot. Bonds2

About 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine

2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine (PubChem CID 59293637) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine
PubChem CID59293637
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine
SMILESCn1cnc2c(Nc3ccc(Cl)cc3)nc(Cl)nc21
InChIInChI=1S/C12H9Cl2N5/c1-19-6-15-9-10(17-12(14)18-11(9)19)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17,18)
InChIKeyPAUVGXDGVUVGAL-UHFFFAOYSA-N
XLogP3.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-(4-chlorophenyl)-9-methylpurin-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

Related Compounds

N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine
CID 25016866
N-(4-chlorophenyl)-9-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]purin-6-amine
CID 25017128
2-chloro-9-methyl-N-(1-methylsulfonylindol-7-yl)purin-6-amine
CID 175424570
2-chloro-N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 11001320
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
N-[4-[(2-chloro-9-cyclohexylpurin-6-yl)amino]phenyl]acetamide
CID 117089119
9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine
CID 44535685
2-chloro-N-(1-methylpyrazol-4-yl)-9-propan-2-ylpurin-6-amine
CID 118073689
2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine
CID 25016610
2-chloro-N-(3,5-dibromophenyl)-9-propan-2-ylpurin-6-amine
CID 176909183
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
2-[2-[2-[2-[2-[2-[2-[4-[(2-chloro-9-methylpurin-6-yl)amino]-3-methoxypyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175886809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine (CID 59293637) is 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine is Cn1cnc2c(Nc3ccc(Cl)cc3)nc(Cl)nc21.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine?
The InChIKey is PAUVGXDGVUVGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c1-19-6-15-9-10(17-12(14)18-11(9)19)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine?
2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine has a molecular weight of 294.15 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-9-methylpurin-6-amine is sourced from PubChem (CID 59293637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).