4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde
Basic information
- CAS
445040-60-8- Standard SMILES
CSc1nc(Cl)c(C=O)c(N2CCCCC2)n1- InChIKey
QOOXHTLRSDRQKL-UHFFFAOYSA-N- Molecular formula
- C11H14ClN3OS
- Average molar mass
- 271.77 g/mol
- Monoisotopic mass
- 271.0546109
Names & identifiers
- Preferred name
- 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde
- IUPAC
- 4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbaldehyde
- English name
- 4-Chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehyde
- Molecular formula
- C11H14ClN3OS
- Molecular weight
- 271.77
Names & synonyms
445040-60-84-chloro-2-(methylsulfanyl)-6-(1-piperidinyl)-5-pyrimidinecarbaldehydeAO-861/374130054-Chloro-2-(methylthio)-6-(1-piperidinyl)-5-pyrimidinecarboxaldehyde4-Chloro-2-(methylthio)-6-(piperidin-1-yl)pyrimidine-5-carbaldehyde4-chloro-2-methylsulfanyl-6-piperidin-1-ylpyrimidine-5-carbaldehydeOprea1_021654DTXSID30356209AKOS0023914724-CHLORO-2-(METHYLSULFANYL)-6-(PIPERIDIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE6-chloro-2-methylsulfanyl-4-(1-piperidyl)pyrimidine-5-carbaldehydeASISCHEM C51987
Show more names
5-PYRIMIDINECARBOXALDEHYDE, 4-CHLORO-2-(METHYLTHIO)-6-(1-PIPERIDINYL)-4-chloro-2-methylsulfanyl-6-(piperidin-1-yl)pyrimidine-5-carboxaldehyde
Database identifiers
- CAS
445040-60-8- PubChem CID
- 820495
- DTXSID
DTXSID30356209- Nikkaji
- J3.059.013I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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