2-methyl-3,4-dihydroquinazoline

• ChemBase ID: 256004
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: N1=C(NCc2c1cccc2)C
• Canonical SMILES: CC1=Nc2c(CN1)cccc2
• InChI: InChI=1S/C9H10N2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-5H,6H2,1H3,(H,10,11)
• InChIKey: OMXVPPKIGHREJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3,4-dihydroquinazoline
• IUPAC Traditional name: 2-methyl-3,4-dihydroquinazoline
• Synonyms: 2-methyl-3,4-dihydroquinazoline

Database IDs

• MDL Number: MFCD10686710
• PubChem SID: 164311914
• PubChem CID: 12220195

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.662831
• LogD (pH = 7.4): -0.49628362
• Log P: 1.1174736
• Molar Refractivity: 46.6628 cm^3
• Polarizability: 16.96938 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.378

Product Information

• Purity: 95%