1-(7-methoxy-4-methylquinazolin-2-yl)guanidine

• ChemBase ID: 183752
• Molecular Formular: C11H13N5O
• Molecular Mass: 231.25382
• Monoisotopic Mass: 231.11201006
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)NC(=N)N
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)NC(=N)N
• InChI: InChI=1S/C11H13N5O/c1-6-8-4-3-7(17-2)5-9(8)15-11(14-6)16-10(12)13/h3-5H,1-2H3,(H4,12,13,14,15,16)
• InChIKey: ZJBMSSBTCGJZEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(7-methoxy-4-methylquinazolin-2-yl)guanidine
• IUPAC Traditional name: 1-(7-methoxy-4-methylquinazolin-2-yl)guanidine

Database IDs

• PubChem SID: 164239662
• PubChem CID: 2835211

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.7376884
• LogD (pH = 7.4): 0.7525293
• Log P: 1.0515405
• Molar Refractivity: 75.935 cm^3
• Polarizability: 25.163382 Å^3
• Polar Surface Area: 96.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds