6-methyl-2-(2-methyl-2,3-dihydro-1H-indol-1-yl)pyrimidin-4-amine

• ChemBase ID: 114579
• Molecular Formular: C14H16N4
• Molecular Mass: 240.30364
• Monoisotopic Mass: 240.13749653
• SMILES: c1(N2C(Cc3c2cccc3)C)nc(cc(n1)C)N
• Canonical SMILES: Cc1cc(N)nc(n1)N1C(C)Cc2c1cccc2
• InChI: InChI=1S/C14H16N4/c1-9-7-13(15)17-14(16-9)18-10(2)8-11-5-3-4-6-12(11)18/h3-7,10H,8H2,1-2H3,(H2,15,16,17)
• InChIKey: DCSPGBGBURLRBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(2-methyl-2,3-dihydro-1H-indol-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
• Synonyms: 6-methyl-2-(2-methyl-2,3-dihydro-1H-indol-1-yl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091710
• PubChem SID: 162099913
• PubChem CID: 56724737

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6472088
• LogD (pH = 7.4): 2.6782243
• Log P: 2.7454886
• Molar Refractivity: 73.385 cm^3
• Polarizability: 26.88413 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.009

Product Information

• Purity: 95+%