6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine

C16H16N4 — CID 10106867

IUPAC6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine
SMILESCNc1ccc2ncnc(Nc3cccc(C)c3)c2c1
InChIInChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20-16-14-9-12(17-2)6-7-15(14)18-10-19-16/h3-10,17H,1-2H3,(H,18,19,20)
InChIKeyIWBVCRRXSCJLQC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.72
Rot. Bonds3

About 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine

6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine (PubChem CID 10106867) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine
PubChem CID10106867
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine
SMILESCNc1ccc2ncnc(Nc3cccc(C)c3)c2c1
InChIInChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20-16-14-9-12(17-2)6-7-15(14)18-10-19-16/h3-10,17H,1-2H3,(H,18,19,20)
InChIKeyIWBVCRRXSCJLQC-UHFFFAOYSA-N
XLogP3.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-methyl-4-N-(3-methylphenyl)quinazoline-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 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine (CID 10106867) is 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine is CNc1ccc2ncnc(Nc3cccc(C)c3)c2c1.
What is the InChIKey of 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine?
The InChIKey is IWBVCRRXSCJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-4-3-5-13(8-11)20-16-14-9-12(17-2)6-7-15(14)18-10-19-16/h3-10,17H,1-2H3,(H,18,19,20).
What are the key properties of 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine?
6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(3-methylphenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 10106867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).