N,6-dimethyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114606
• Molecular Formular: C15H18N4
• Molecular Mass: 254.33022
• Monoisotopic Mass: 254.1531466
• SMILES: c1(nc(cc(n1)C)NC)N1c2c(CCC1)cccc2
• Canonical SMILES: CNc1cc(C)nc(n1)N1CCCc2c1cccc2
• InChI: InChI=1S/C15H18N4/c1-11-10-14(16-2)18-15(17-11)19-9-5-7-12-6-3-4-8-13(12)19/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,16,17,18)
• InChIKey: HNQPLQCZTGQHLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethylpyrimidin-4-amine
• Synonyms: 2-(3,4-dihydroquinolin-1(2H)-yl)-N,6-dimethylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091733
• PubChem SID: 162099603
• PubChem CID: 56724760

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.020498
• LogD (pH = 7.4): 3.0153244
• Log P: 3.0751863
• Molar Refractivity: 79.0606 cm^3
• Polarizability: 28.728209 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.308

Product Information

• Purity: 95+%