1-(4,8-dimethylquinazolin-2-yl)guanidine

• ChemBase ID: 181748
• Molecular Formular: C11H13N5
• Molecular Mass: 215.25442
• Monoisotopic Mass: 215.11709544
• SMILES: c1(nc2c(c(n1)C)cccc2C)NC(=N)N
• Canonical SMILES: NC(=N)Nc1nc(C)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C11H13N5/c1-6-4-3-5-8-7(2)14-11(15-9(6)8)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
• InChIKey: ZZFRROOYRMMSET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4,8-dimethylquinazolin-2-yl)guanidine
• IUPAC Traditional name: 1-(4,8-dimethylquinazolin-2-yl)guanidine

Database IDs

• PubChem SID: 164237658
• PubChem CID: 2849032

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.25257698
• LogD (pH = 7.4): 1.2713853
• Log P: 1.7226331
• Molar Refractivity: 74.513 cm^3
• Polarizability: 24.420517 Å^3
• Polar Surface Area: 87.68 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds