9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine

C20H28N10 — CID 171999134

IUPAC9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1
InChIInChI=1S/C20H28N10/c1-15-24-16(28-6-4-26(2)5-7-28)12-17(25-15)29-8-10-30(11-9-29)20-18-19(21-13-22-20)27(3)14-23-18/h12-14H,4-11H2,1-3H3
InChIKeyJNMTZBLXYCHXAJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP0.54
Rot. Bonds3

About 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine

9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine (PubChem CID 171999134) has the molecular formula C20H28N10 and a molecular weight of 408.51 g/mol. Its IUPAC name is 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine.

Molecular Properties

Compound Name9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
PubChem CID171999134
Molecular FormulaC20H28N10
Molecular Weight408.51 g/mol
Exact Mass408.25
IUPAC Name9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
SMILESCc1nc(N2CCN(C)CC2)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1
InChIInChI=1S/C20H28N10/c1-15-24-16(28-6-4-26(2)5-7-28)12-17(25-15)29-8-10-30(11-9-29)20-18-19(21-13-22-20)27(3)14-23-18/h12-14H,4-11H2,1-3H3
InChIKeyJNMTZBLXYCHXAJ-UHFFFAOYSA-N
XLogP0.54
TPSA82.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine?
The IUPAC name of 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine (CID 171999134) is 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine.
What is the SMILES notation for 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine?
The canonical SMILES for 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine is Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1.
What is the InChIKey of 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine?
The InChIKey is JNMTZBLXYCHXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N10/c1-15-24-16(28-6-4-26(2)5-7-28)12-17(25-15)29-8-10-30(11-9-29)20-18-19(21-13-22-20)27(3)14-23-18/h12-14H,4-11H2,1-3H3.
What are the key properties of 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine?
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine has a molecular weight of 408.51 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine is sourced from PubChem (CID 171999134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).