7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine

C17H18N4O2 — CID 56676460

IUPAC7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCOc1ccc(OC)c(-c2cc3nc(N)nc(N)c3cc2C)c1
InChIInChI=1S/C17H18N4O2/c1-9-6-13-14(20-17(19)21-16(13)18)8-11(9)12-7-10(22-2)4-5-15(12)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
InChIKeyCOSWOOIXZCPISM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.79
Rot. Bonds3

About 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine

7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine (PubChem CID 56676460) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
PubChem CID56676460
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine
SMILESCOc1ccc(OC)c(-c2cc3nc(N)nc(N)c3cc2C)c1
InChIInChI=1S/C17H18N4O2/c1-9-6-13-14(20-17(19)21-16(13)18)8-11(9)12-7-10(22-2)4-5-15(12)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
InChIKeyCOSWOOIXZCPISM-UHFFFAOYSA-N
XLogP2.79
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-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 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine (CID 56676460) is 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine is COc1ccc(OC)c(-c2cc3nc(N)nc(N)c3cc2C)c1.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is COSWOOIXZCPISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9-6-13-14(20-17(19)21-16(13)18)8-11(9)12-7-10(22-2)4-5-15(12)23-3/h4-8H,1-3H3,(H4,18,19,20,21).
What are the key properties of 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine?
7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 310.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 56676460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).