6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine

C12H16N4O2 — CID 29503

IUPAC6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine
SMILESCOc1cc2nc(N(C)C)nc(N)c2cc1OC
InChIInChI=1S/C12H16N4O2/c1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12/h5-6H,1-4H3,(H2,13,14,15)
InChIKeyJALPLGVFZRCLGE-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.30
Rot. Bonds3

About 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine

6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine (PubChem CID 29503) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine
PubChem CID29503
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine
SMILESCOc1cc2nc(N(C)C)nc(N)c2cc1OC
InChIInChI=1S/C12H16N4O2/c1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12/h5-6H,1-4H3,(H2,13,14,15)
InChIKeyJALPLGVFZRCLGE-UHFFFAOYSA-N
XLogP1.30
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-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 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine (CID 29503) is 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine is COc1cc2nc(N(C)C)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine?
The InChIKey is JALPLGVFZRCLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16(2)12-14-8-6-10(18-4)9(17-3)5-7(8)11(13)15-12/h5-6H,1-4H3,(H2,13,14,15).
What are the key properties of 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine?
6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N,2-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 29503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).