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

• ChemBase ID: 66885
• Molecular Formular: C10H10ClN3OS
• Molecular Mass: 255.7239
• Monoisotopic Mass: 255.02331064
• SMILES: c1(nc2c(c(n1)N1CCOCC1)scc2)Cl
• Canonical SMILES: Clc1nc(N2CCOCC2)c2c(n1)ccs2
• InChI: InChI=1S/C10H10ClN3OS/c11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14/h1,6H,2-5H2
• InChIKey: HKQMXHKNXRNUCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 16234-15-4
• MDL Number: MFCD09909656
• PubChem SID: 162032621
• PubChem CID: 20284971

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7041454
• LogD (pH = 7.4): 2.7041616
• Log P: 2.704162
• Molar Refractivity: 65.0056 cm^3
• Polarizability: 25.216578 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%