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

C20H23ClN6 — CID 62705987

IUPAC8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine
SMILESCc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CC3)c2n1
InChIInChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3
InChIKeyATTXJDZGDVZJEP-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.54
Rot. Bonds3

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

8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine (PubChem CID 62705987) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine.

Molecular Properties

Compound Name8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine
PubChem CID62705987
Molecular FormulaC20H23ClN6
Molecular Weight382.90 g/mol
Exact Mass382.17
IUPAC Name8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine
SMILESCc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CC3)c2n1
InChIInChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3
InChIKeyATTXJDZGDVZJEP-UHFFFAOYSA-N
XLogP3.54
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.54
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-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine?
The IUPAC name of 8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine (CID 62705987) is 8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine.
What is the SMILES notation for 8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine?
The canonical SMILES for 8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine is Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CC3)c2n1.
What is the InChIKey of 8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine?
The InChIKey is ATTXJDZGDVZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6/c1-13-22-19(26-11-9-25(2)10-12-26)17-20(23-13)27(14-7-8-14)18(24-17)15-5-3-4-6-16(15)21/h3-6,14H,7-12H2,1-2H3.
What are the key properties of 8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine?
8-(2-chlorophenyl)-9-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine has a molecular weight of 382.90 g/mol, XLogP of 3.54, 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-cyclopropyl-2-methyl-6-(4-methylpiperazin-1-yl)purine is sourced from PubChem (CID 62705987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).