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

• ChemBase ID: 806661
• Molecular Formular: C8H11N3
• Molecular Mass: 149.19304
• Monoisotopic Mass: 149.09529737
• SMILES: C1(CCc2ncncc2C1)N
• Canonical SMILES: NC1CCc2c(C1)cncn2
• InChI: InChI=1S/C8H11N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h4-5,7H,1-3,9H2
• InChIKey: VZSRJNKREOFLHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1314955
• LogD (pH = 7.4): -2.4879136
• Log P: -0.1176947
• Molar Refractivity: 43.1077 cm^3
• Polarizability: 16.543896 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%