6-(methoxymethyl)-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4-ol

• ChemBase ID: 188241
• Molecular Formular: C15H15N5O2
• Molecular Mass: 297.3119
• Monoisotopic Mass: 297.12257475
• SMILES: c1(nc(cc(n1)COC)O)Nc1nc(c2c(n1)cccc2)C
• Canonical SMILES: COCc1nc(nc(c1)O)Nc1nc(C)c2c(n1)cccc2
• InChI: InChI=1S/C15H15N5O2/c1-9-11-5-3-4-6-12(11)18-14(16-9)20-15-17-10(8-22-2)7-13(21)19-15/h3-7H,8H2,1-2H3,(H2,16,17,18,19,20,21)
• InChIKey: CHQQSFFTTUPHPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methoxymethyl)-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4-ol
• IUPAC Traditional name: 6-(methoxymethyl)-2-[(4-methylquinazolin-2-yl)amino]pyrimidin-4-ol

Database IDs

• PubChem SID: 164244151
• PubChem CID: 947052

CALCULATED PROPERTIES

• Acid pKa: 6.333547
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 2.6197808
• LogD (pH = 7.4): 1.6851226
• Log P: 2.678561
• Molar Refractivity: 81.7738 cm^3
• Polarizability: 31.72934 Å^3
• Polar Surface Area: 93.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds