2,4-dimethylquinazoline

• ChemBase ID: 69769
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c(nc(c2ccccc12)C)C
• Canonical SMILES: Cc1nc2ccccc2c(n1)C
• InChI: InChI=1S/C10H10N2/c1-7-9-5-3-4-6-10(9)12-8(2)11-7/h3-6H,1-2H3
• InChIKey: VDYFFXPVIBDLOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylquinazoline
• IUPAC Traditional name: 2,4-dimethylquinazoline
• Synonyms: 2,4-Dimethylquinazoline

Database IDs

• CAS Number: 703-63-9
• MDL Number: MFCD18449069
• PubChem SID: 162035494
• PubChem CID: 241519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1322565
• LogD (pH = 7.4): 2.143291
• Log P: 2.1434336
• Molar Refractivity: 48.0164 cm^3
• Polarizability: 19.643894 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%