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

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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).