4-Cyclopropylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Base Information

• Chemical Name: 4-Cyclopropylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde
• CAS No.: 211247-46-0
• Molecular Formula: C9H11N3OS
• Molecular Weight: 209.272
• DSSTox Substance ID: DTXSID701176821
• Nikkaji Number: J2.304.575C
• Mol file: 211247-46-0.mol

Synonyms:211247-46-0;SCHEMBL3535605;TQP0628;TWIGATDHHWUGHA-UHFFFAOYSA-N;DTXSID701176821;FT-0718407;2-(Methylthio)-4-(cyclopropylamino)pyrimidine-5-carbaldehyde;4-(Cyclopropylamino)-2-(methylthio)-5-pyrimidinecarboxaldehyde;4-(cyclopropylamino)-2-(methylthio)pyrimidine-5-carbaldehyde;4-cyclopropylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Chemical Property of 4-Cyclopropylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Chemical Property:

• Melting Point: 69 - 70 °C
• PSA: 80.18000
• LogP: 1.65830
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.06228316
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

98% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CSC1=NC=C(C(=N1)NC2CC2)C=O

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