7,7-dimethyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine dihydrochloride

• ChemBase ID: 55421
• Molecular Formular: C14H24Cl2N4O
• Molecular Mass: 335.27256
• Monoisotopic Mass: 334.13271677
• SMILES: C1C(Cc2c(C1N)cnc(n2)N1CCOCC1)(C)C.Cl.Cl
• Canonical SMILES: NC1CC(C)(C)Cc2c1cnc(n2)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C14H22N4O.2ClH/c1-14(2)7-11(15)10-9-16-13(17-12(10)8-14)18-3-5-19-6-4-18;;/h9,11H,3-8,15H2,1-2H3;2*1H
• InChIKey: NXALIWSUXWOYGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-dimethyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine dihydrochloride
• IUPAC Traditional name: 7,7-dimethyl-2-(morpholin-4-yl)-6,8-dihydro-5H-quinazolin-5-amine dihydrochloride
• Synonyms: 7,7-Dimethyl-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-amine dihydrochloride

Database IDs

• MDL Number: MFCD15146557
• PubChem SID: 162060184
• PubChem CID: 50998499

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7642926
• LogD (pH = 7.4): -0.63971573
• Log P: 1.1936084
• Molar Refractivity: 75.4265 cm^3
• Polarizability: 28.77329 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false