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

• ChemBase ID: 280157
• Molecular Formular: C12H18N4O
• Molecular Mass: 234.29752
• Monoisotopic Mass: 234.14806122
• SMILES: c1(nc2c(cn1)CC(N)CC2)N1CCOCC1
• Canonical SMILES: NC1CCc2c(C1)cnc(n2)N1CCOCC1
• InChI: InChI=1S/C12H18N4O/c13-10-1-2-11-9(7-10)8-14-12(15-11)16-3-5-17-6-4-16/h8,10H,1-7,13H2
• InChIKey: IOLVDEHYEZMUIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-6-amine
• Synonyms: 2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-6-amine

Database IDs

• MDL Number: MFCD09040782
• PubChem SID: 180665688
• PubChem CID: 16228819

CALCULATED PROPERTIES

• LogD (pH = 5.5): -2.5666776
• LogD (pH = 7.4): -1.9850117
• Log P: 0.45063472
• Molar Refractivity: 66.5568 cm^3
• Polarizability: 25.022848 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.38

Product Information

• Purity: 95%