8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine

C22H20Cl2N6 — CID 25190880

IUPAC8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine
SMILESCN1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3
InChIKeyKCQJZOJGRGXWCV-UHFFFAOYSA-N
MW439.35 g/mol
LogP4.54
Rot. Bonds3

About 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine

8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine (PubChem CID 25190880) has the molecular formula C22H20Cl2N6 and a molecular weight of 439.35 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine.

Molecular Properties

Compound Name8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine
PubChem CID25190880
Molecular FormulaC22H20Cl2N6
Molecular Weight439.35 g/mol
Exact Mass438.11
IUPAC Name8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine
SMILESCN1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3
InChIKeyKCQJZOJGRGXWCV-UHFFFAOYSA-N
XLogP4.54
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine?
The IUPAC name of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine (CID 25190880) is 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine.
What is the SMILES notation for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine?
The canonical SMILES for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine is CN1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine?
The InChIKey is KCQJZOJGRGXWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3.
What are the key properties of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine?
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine has a molecular weight of 439.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)purine is sourced from PubChem (CID 25190880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).