1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C16H18N10 — CID 154853682

IUPAC1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1cnc2c(N3CCN(c4ncnc5c4cnn5C)CC3)ncnc21
InChIInChI=1S/C16H18N10/c1-23-10-21-12-15(23)19-9-20-16(12)26-5-3-25(4-6-26)14-11-7-22-24(2)13(11)17-8-18-14/h7-10H,3-6H2,1-2H3
InChIKeyJIKQUHMWYXZQRB-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.37
Rot. Bonds2

About 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 154853682) has the molecular formula C16H18N10 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID154853682
Molecular FormulaC16H18N10
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1cnc2c(N3CCN(c4ncnc5c4cnn5C)CC3)ncnc21
InChIInChI=1S/C16H18N10/c1-23-10-21-12-15(23)19-9-20-16(12)26-5-3-25(4-6-26)14-11-7-22-24(2)13(11)17-8-18-14/h7-10H,3-6H2,1-2H3
InChIKeyJIKQUHMWYXZQRB-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 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine 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

1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
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-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870068
4-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 18150328
1-methyl-4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 18150395

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 154853682) is 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is Cn1cnc2c(N3CCN(c4ncnc5c4cnn5C)CC3)ncnc21.
What is the InChIKey of 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is JIKQUHMWYXZQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N10/c1-23-10-21-12-15(23)19-9-20-16(12)26-5-3-25(4-6-26)14-11-7-22-24(2)13(11)17-8-18-14/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine 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 1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 154853682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).