7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine

C16H18N10 — CID 154853679

IUPAC7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
SMILESCn1cnc2c(N3CCN(c4ncnc5ncn(C)c45)CC3)ncnc21
InChIInChI=1S/C16H18N10/c1-23-10-22-13-12(23)16(20-7-17-13)26-5-3-25(4-6-26)15-11-14(18-8-19-15)24(2)9-21-11/h7-10H,3-6H2,1-2H3
InChIKeyPGAGKZGQVFCAPC-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.37
Rot. Bonds2

About 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine

7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine (PubChem CID 154853679) has the molecular formula C16H18N10 and a molecular weight of 350.39 g/mol. Its IUPAC name is 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine.

Molecular Properties

Compound Name7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
PubChem CID154853679
Molecular FormulaC16H18N10
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
SMILESCn1cnc2c(N3CCN(c4ncnc5ncn(C)c45)CC3)ncnc21
InChIInChI=1S/C16H18N10/c1-23-10-22-13-12(23)16(20-7-17-13)26-5-3-25(4-6-26)15-11-14(18-8-19-15)24(2)9-21-11/h7-10H,3-6H2,1-2H3
InChIKeyPGAGKZGQVFCAPC-UHFFFAOYSA-N
XLogP0.37
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-methyl-6-[4-(9-methylpurin-6-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

Related Compounds

6-(azetidin-1-yl)-9-methylpurine
CID 147079717
6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
CID 154853588
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
7-methyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 154853672
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
CID 163354244
6-[4-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-7-methylpurine
CID 163344430
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
7-methyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 155798866
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
CID 154853569
6-(4-imidazo[1,2-b]pyridazin-6-yl-1,4-diazepan-1-yl)-7-methylpurine
CID 163344989

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine?
The IUPAC name of 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine (CID 154853679) is 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine.
What is the SMILES notation for 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine?
The canonical SMILES for 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine is Cn1cnc2c(N3CCN(c4ncnc5ncn(C)c45)CC3)ncnc21.
What is the InChIKey of 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine?
The InChIKey is PGAGKZGQVFCAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N10/c1-23-10-22-13-12(23)16(20-7-17-13)26-5-3-25(4-6-26)15-11-14(18-8-19-15)24(2)9-21-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine?
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine has a molecular weight of 350.39 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine is sourced from PubChem (CID 154853679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).