2,5,6-trimethyl-7-[2-(pyridin-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

• ChemBase ID: 275489
• Molecular Formular: C16H19N5
• Molecular Mass: 281.35556
• Monoisotopic Mass: 281.16404563
• SMILES: c12c(c(c(n1CCc1ncccc1)C)C)c(nc(n2)C)N
• Canonical SMILES: Cc1nc(N)c2c(n1)n(CCc1ccccn1)c(c2C)C
• InChI: InChI=1S/C16H19N5/c1-10-11(2)21(9-7-13-6-4-5-8-18-13)16-14(10)15(17)19-12(3)20-16/h4-6,8H,7,9H2,1-3H3,(H2,17,19,20)
• InChIKey: OZHZDKZJNQTISJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,6-trimethyl-7-[2-(pyridin-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 2,5,6-trimethyl-7-[2-(pyridin-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
• Synonyms: 2,5,6-trimethyl-7-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Database IDs

• MDL Number: MFCD13660503
• PubChem SID: 164331399
• PubChem CID: 43337056

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5962521
• LogD (pH = 7.4): 2.576794
• Log P: 2.6073675
• Molar Refractivity: 85.1202 cm^3
• Polarizability: 31.731802 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.988

Product Information

• Purity: 95%