Pyrimidine, 2,4-bis(1,1-dimethylethoxy)-
Basic information
- CAS
7306-78-7- Standard SMILES
CC(C)(C)Oc1ccnc(OC(C)(C)C)n1- InChIKey
HNFSYCIQTIXGSU-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247789
Names & identifiers
- Preferred name
- Pyrimidine, 2,4-bis(1,1-dimethylethoxy)-
- IUPAC
- 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
- English name
- 2,4-Bis(1,1-diMethylethoxy)pyriMidine-13C,15N2
- Molecular formula
- C12H20N2O2
- Molecular weight
- 224.3
Names & synonyms
7306-78-7Pyrimidine, 2,4-bis(1,1-dimethylethoxy)-DTXSID80358531RefChem:377458DTXCID603095862,4-di-tert-butoxypyrimidine2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine2,4-ditert-butoxypyrimidineSCHEMBL3339512SCHEMBL38192292,4-Bis(1,1-dimethylethoxy)pyrimidine-AI-942/42302114
Show more names
2,4-Bis(1,1-diMethylethoxy)pyriMidine-13C,15N2
Database identifiers
- CAS
7306-78-7- PubChem CID
- 901709
- DTXSID
DTXSID80358531
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 308.6 · 308.6±34.0 °C(Predicted)
- Density
- 1.005 · 1.005±0.06 g/cm3(Predicted)
- solubility
- DCM, Ethyl Acetate, Methanol
- form
- Oil
- pka
- 3.15 · 3.15±0.20(Predicted)
Chemistry & industry
Applications
Uses2,4-Bis(1,1-dimethylethoxy)pyrimidine-13C,15N2 is an isotope labelled intermediate in the synthesis of β-Pseudouridine (O839607), an isomer of the nucleoside uridine found in all species and in many classes of RNA except mRNA.
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Compound notes
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