4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

C23H21N7 — CID 22727427

IUPAC4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1
InChIInChI=1S/C23H21N7/c1-30(2)22-12-17-20(13-24-22)25-14-26-23(17)27-16-8-9-18-19(11-16)29-21(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyRCDUEGIHNAMABT-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.30
Rot. Bonds5

About 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 22727427) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID22727427
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1
InChIInChI=1S/C23H21N7/c1-30(2)22-12-17-20(13-24-22)25-14-26-23(17)27-16-8-9-18-19(11-16)29-21(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyRCDUEGIHNAMABT-UHFFFAOYSA-N
XLogP4.30
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-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 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine (CID 22727427) is 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine is CN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1.
What is the InChIKey of 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is RCDUEGIHNAMABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-30(2)22-12-17-20(13-24-22)25-14-26-23(17)27-16-8-9-18-19(11-16)29-21(28-18)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27).
What are the key properties of 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 395.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-benzyl-3H-benzimidazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 22727427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).