6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine

C18H20N4 — CID 56673137

IUPAC6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1ccccc1C(C)C
InChIInChI=1S/C18H20N4/c1-10(2)12-6-4-5-7-13(12)14-9-16-15(8-11(14)3)17(19)22-18(20)21-16/h4-10H,1-3H3,(H4,19,20,21,22)
InChIKeyXDUKCBYHRBOIIW-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.89
Rot. Bonds2

About 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine

6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine (PubChem CID 56673137) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine
PubChem CID56673137
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1ccccc1C(C)C
InChIInChI=1S/C18H20N4/c1-10(2)12-6-4-5-7-13(12)14-9-16-15(8-11(14)3)17(19)22-18(20)21-16/h4-10H,1-3H3,(H4,19,20,21,22)
InChIKeyXDUKCBYHRBOIIW-UHFFFAOYSA-N
XLogP3.89
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-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-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine (CID 56673137) is 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine is Cc1cc2c(N)nc(N)nc2cc1-c1ccccc1C(C)C.
What is the InChIKey of 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine?
The InChIKey is XDUKCBYHRBOIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-10(2)12-6-4-5-7-13(12)14-9-16-15(8-11(14)3)17(19)22-18(20)21-16/h4-10H,1-3H3,(H4,19,20,21,22).
What are the key properties of 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine?
6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(2-propan-2-ylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56673137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).