4-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]morpholine
Basic information
- CAS
52476-69-4- Standard SMILES
Cc1cc(C)n(-c2ccnc(N3CCOCC3)n2)n1- InChIKey
XTKQKJUIYBMSLZ-UHFFFAOYSA-N- Molecular formula
- C13H17N5O
- Average molar mass
- 259.31 g/mol
- Monoisotopic mass
- 259.14331018
Names & identifiers
- Preferred name
- 4-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]morpholine
- IUPAC
- 4-[4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]morpholine
Names & synonyms
4-[4-(3,5-Dimethyl-1H-pyrazol-1-yl)pyrimidin-2-yl]morpholine52476-69-44-[4-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]morpholineNSC270410DTXSID00313460HMS5117N08AKOS021679939NSC-270410
Database identifiers
- CAS
52476-69-4- PubChem CID
- 321077
- DTXSID
DTXSID00313460
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
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Related reactions
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Compound notes
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