2-cyclopropyl-3,4-dihydroquinazoline

• ChemBase ID: 255163
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: N1=C(NCc2c1cccc2)C1CC1
• Canonical SMILES: c1ccc2c(c1)N=C(NC2)C1CC1
• InChI: InChI=1S/C11H12N2/c1-2-4-10-9(3-1)7-12-11(13-10)8-5-6-8/h1-4,8H,5-7H2,(H,12,13)
• InChIKey: XKBBMSIEBMRHJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971461
• PubChem SID: 164311073
• PubChem CID: 25584967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.11812956
• LogD (pH = 7.4): 0.34138295
• Log P: 1.8972698
• Molar Refractivity: 54.062 cm^3
• Polarizability: 19.923765 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.642

Product Information

• Purity: 95%