Cor 3286
Basic information
- CAS
120182-20-9- Standard SMILES
NC1=NCC(CN2CCN(c3ncccn3)CC2)O1- InChIKey
CFFBLPKCMVYPLU-UHFFFAOYSA-N- Molecular formula
- C12H18N6O
- Average molar mass
- 262.31 g/mol
- Monoisotopic mass
- 262.15420922
Names & identifiers
- Preferred name
- Cor 3286
- IUPAC
- 5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
- English name
- 4,5-Dihydro-5-[[4-(2-pyrimidinyl)piperazino]methyl]-2-oxazolamine
- Molecular formula
- C12H18N6O
- Molecular weight
- 262.31
Names & synonyms
Cor 3286Cor 32-86127908-95-62-Oxazolamine, 4,5-dihydro-5-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-, (+-)-RefChem:919033120182-20-94,5-Dihydro-5-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-2-oxazolamineBRN 35620212-Oxazolamine, 4,5-dihydro-5-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-DTXSID508743545-(1-(2-Pyrimidyl)-4-piperazino)methyl-2-amino-2-oxazoline5-{[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]METHYL}-4,5-DIHYDRO-1,3-OXAZOL-2-AMINE
Show more names
5-[[1-(Pyrimidin-2-yl)piperazin-4-yl]methyl]-2-amino-2-oxazoline4,5-Dihydro-5-[[4-(2-pyrimidinyl)piperazino]methyl]-2-oxazolamine
Database identifiers
- CAS
120182-20-9、127908-95-6- PubChem CID
- 86184
- DTXSID
DTXSID50874354- Nikkaji
- J282.526K
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
LogP0.21
Physicochemical properties
- Melting point
- 182 °C · 182 °C
- Boiling point
- 458.3 · 458.3±55.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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