2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 274362
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: c12c(nc(nc1)C)CCCC2N
• Canonical SMILES: Cc1nc2CCCC(c2cn1)N
• InChI: InChI=1S/C9H13N3/c1-6-11-5-7-8(10)3-2-4-9(7)12-6/h5,8H,2-4,10H2,1H3
• InChIKey: PMXMWNSGCDPEFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: 2-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

Database IDs

• MDL Number: MFCD09054901
• PubChem SID: 164330272
• PubChem CID: 54593134

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5414498
• LogD (pH = 7.4): -1.2429062
• Log P: 0.54957473
• Molar Refractivity: 47.5781 cm^3
• Polarizability: 18.383244 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.112

Product Information

• Purity: 95%