N-(piperidin-4-yl)quinazolin-4-amine

• ChemBase ID: 289097
• Molecular Formular: C13H16N4
• Molecular Mass: 228.29294
• Monoisotopic Mass: 228.13749653
• SMILES: c1(NC2CCNCC2)c2ccccc2ncn1
• Canonical SMILES: N1CCC(CC1)Nc1ncnc2c1cccc2
• InChI: InChI=1S/C13H16N4/c1-2-4-12-11(3-1)13(16-9-15-12)17-10-5-7-14-8-6-10/h1-4,9-10,14H,5-8H2,(H,15,16,17)
• InChIKey: GQISUMHDDPZFLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)quinazolin-4-amine
• IUPAC Traditional name: N-(piperidin-4-yl)quinazolin-4-amine
• Synonyms: N-(Piperidin-4-yl)quinazolin-4-amine

Database IDs

• CAS Number: 1183120-04-8
• MDL Number: MFCD13166547
• PubChem SID: 180674628
• PubChem CID: 56965682

CALCULATED PROPERTIES

• Acid pKa: 19.43747
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1662471
• LogD (pH = 7.4): -1.3605654
• Log P: 1.1360564
• Molar Refractivity: 69.4642 cm^3
• Polarizability: 27.225859 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%