8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine

C18H22N8 — CID 70681158

IUPAC8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12
InChIInChI=1S/C18H22N8/c1-12-5-3-4-6-13(12)23-17-14-15(16(19-2)22-11-21-14)24-18(25-17)26-9-7-20-8-10-26/h3-6,11,20H,7-10H2,1-2H3,(H,19,21,22)(H,23,24,25)
InChIKeyNLHAWPRZWKTHRI-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.92
Rot. Bonds4

About 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine

8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine (PubChem CID 70681158) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine.

Molecular Properties

Compound Name8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
PubChem CID70681158
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine
SMILESCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12
InChIInChI=1S/C18H22N8/c1-12-5-3-4-6-13(12)23-17-14-15(16(19-2)22-11-21-14)24-18(25-17)26-9-7-20-8-10-26/h3-6,11,20H,7-10H2,1-2H3,(H,19,21,22)(H,23,24,25)
InChIKeyNLHAWPRZWKTHRI-UHFFFAOYSA-N
XLogP1.92
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine 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 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The IUPAC name of 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine (CID 70681158) is 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine.
What is the SMILES notation for 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The canonical SMILES for 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine is CNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12.
What is the InChIKey of 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
The InChIKey is NLHAWPRZWKTHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-12-5-3-4-6-13(12)23-17-14-15(16(19-2)22-11-21-14)24-18(25-17)26-9-7-20-8-10-26/h3-6,11,20H,7-10H2,1-2H3,(H,19,21,22)(H,23,24,25).
What are the key properties of 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine?
8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine has a molecular weight of 350.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-4-N-(2-methylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 70681158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).