Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide
Basic information
- CAS
95546-93-3- Standard SMILES
CC(C)=NNC(=O)CSc1cc(N2CCOCC2)ncn1- InChIKey
JJCPDGXCWWLOAI-UHFFFAOYSA-N- Molecular formula
- C13H19N5O2S
- Average molar mass
- 309.39 g/mol
- Monoisotopic mass
- 309.12594604
Names & identifiers
- Preferred name
- Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide
- IUPAC
- 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(propan-2-ylideneamino)acetamide
Names & synonyms
BRN 5612189Acetic acid, ((6-(4-morpholinyl)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide(6-Morpholinopyrimidin-4-ylthio)acetoisopropylidenehydrazide95546-93-3DTXSID40241879((6-(4-Morpholinyl)-4-pyrimidinyl)thio)acetic acid (1-methylethylidene)hydrazideRefChem:316051DTXCID201643702-{[6-(Morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-N'-(propan-2-ylidene)acetohydrazide
Database identifiers
- CAS
95546-93-3- PubChem CID
- 56950
- DTXSID
DTXSID40241879
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
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Related reactions
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Compound notes
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