4-{2,7-dichloropyrido[2,3-d]pyrimidin-4-yl}morpholine

• ChemBase ID: 65896
• Molecular Formular: C11H10Cl2N4O
• Molecular Mass: 285.1293
• Monoisotopic Mass: 284.02316632
• SMILES: c1c(nc2c(c1)c(nc(n2)Cl)N1CCOCC1)Cl
• Canonical SMILES: Clc1ccc2c(n1)nc(nc2N1CCOCC1)Cl
• InChI: InChI=1S/C11H10Cl2N4O/c12-8-2-1-7-9(14-8)15-11(13)16-10(7)17-3-5-18-6-4-17/h1-2H,3-6H2
• InChIKey: LMWIZPCKEPDNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2,7-dichloropyrido[2,3-d]pyrimidin-4-yl}morpholine
• IUPAC Traditional name: 4-{2,7-dichloropyrido[2,3-d]pyrimidin-4-yl}morpholine
• Synonyms: 4-(2,7-Dichloropyrido[2,3-d]-pyrimidin-4-yl)morpholine

Database IDs

• CAS Number: 938443-21-1
• MDL Number: MFCD13181198
• PubChem SID: 162031635
• PubChem CID: 57442172

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7491677
• LogD (pH = 7.4): 2.7491677
• Log P: 2.749168
• Molar Refractivity: 73.3977 cm^3
• Polarizability: 26.972168 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%