[2-chloro-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methanol

• ChemBase ID: 65898
• Molecular Formular: C12H13ClN4O2
• Molecular Mass: 280.71022
• Monoisotopic Mass: 280.07270336
• SMILES: c1c(nc2c(c1)c(nc(n2)Cl)N1CCOCC1)CO
• Canonical SMILES: OCc1ccc2c(n1)nc(nc2N1CCOCC1)Cl
• InChI: InChI=1S/C12H13ClN4O2/c13-12-15-10-9(2-1-8(7-18)14-10)11(16-12)17-3-5-19-6-4-17/h1-2,18H,3-7H2
• InChIKey: NGSMFTZOLSDUKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methanol
• IUPAC Traditional name: [2-chloro-4-(morpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]methanol
• Synonyms: (2-Chloro-4-morpholinopyrido [2,3-d]pyrimidin-7-yl)methanol

Database IDs

• CAS Number: 1227958-02-2
• MDL Number: MFCD21648264
• PubChem SID: 162031637
• PubChem CID: 71299202

CALCULATED PROPERTIES

• Acid pKa: 14.126426
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.2390679
• LogD (pH = 7.4): 1.239068
• Log P: 1.239068
• Molar Refractivity: 73.8253 cm^3
• Polarizability: 27.470587 Å^3
• Polar Surface Area: 71.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%