5,6,7,8-tetrahydroquinazolin-4-amine

• ChemBase ID: 244415
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: c12c(ncnc1CCCC2)N
• Canonical SMILES: Nc1ncnc2c1CCCC2
• InChI: InChI=1S/C8H11N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2,(H2,9,10,11)
• InChIKey: JNNNEXWZHCXUOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6,7,8-tetrahydroquinazolin-4-amine
• IUPAC Traditional name: 5,6,7,8-tetrahydroquinazolin-4-amine
• Synonyms: 5,6,7,8-tetrahydroquinazolin-4-amine

Database IDs

• MDL Number: MFCD16690547
• PubChem SID: 164300325
• PubChem CID: 45079028

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6844479
• LogD (pH = 7.4): 1.1311476
• Log P: 1.1414372
• Molar Refractivity: 44.7946 cm^3
• Polarizability: 16.155802 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.248

Product Information

• Purity: 95%