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

• ChemBase ID: 288745
• Molecular Formular: C10H10ClN3OS
• Molecular Mass: 255.7239
• Monoisotopic Mass: 255.02331064
• SMILES: Clc1nc(N2CCOCC2)c2ccsc2n1
• Canonical SMILES: Clc1nc(N2CCOCC2)c2c(n1)scc2
• InChI: InChI=1S/C10H10ClN3OS/c11-10-12-8(14-2-4-15-5-3-14)7-1-6-16-9(7)13-10/h1,6H,2-5H2
• InChIKey: YPVVQAPITTYKRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 63894-67-7
• PubChem SID: 180674276
• PubChem CID: 13038189

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6857488
• LogD (pH = 7.4): 2.6857734
• Log P: 2.6857736
• Molar Refractivity: 65.3302 cm^3
• Polarizability: 24.586052 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%