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

• ChemBase ID: 114607
• Molecular Formular: C15H18N4
• Molecular Mass: 254.33022
• Monoisotopic Mass: 254.1531466
• SMILES: c1(N2C(Cc3c2cccc3)C)nc(cc(n1)C)NC
• Canonical SMILES: CNc1cc(C)nc(n1)N1C(C)Cc2c1cccc2
• InChI: InChI=1S/C15H18N4/c1-10-8-14(16-3)18-15(17-10)19-11(2)9-12-6-4-5-7-13(12)19/h4-8,11H,9H2,1-3H3,(H,16,17,18)
• InChIKey: XCNDHUATXDDXAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21091734
• PubChem SID: 162101128
• PubChem CID: 56724761

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0199974
• LogD (pH = 7.4): 2.9915833
• Log P: 3.0471926
• Molar Refractivity: 78.8784 cm^3
• Polarizability: 28.727015 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.328

Product Information

• Purity: 95+%