Phosphoric acid, 6-methyl-2-(1-methylethyl)-4-pyrimidinyl dipropyl ester
Basic information
- CAS
1708-53-8- Standard SMILES
CCCOP(=O)(OCCC)Oc1cc(C)nc(C(C)C)n1- InChIKey
CYYWHTXLCIZUEV-UHFFFAOYSA-N- Molecular formula
- C14H25N2O4P
- Average molar mass
- 316.33 g/mol
- Monoisotopic mass
- 316.15519428
Names & identifiers
- Preferred name
- Phosphoric acid, 6-methyl-2-(1-methylethyl)-4-pyrimidinyl dipropyl ester
- IUPAC
- (6-methyl-2-propan-2-ylpyrimidin-4-yl) dipropyl phosphate
Names & synonyms
Phosphoric acid, 6-methyl-2-(1-methylethyl)-4-pyrimidinyl dipropyl ester1708-53-8Phosphoric acid,6-methyl-2-(1-methylethyl)-4-pyrimidinyl dipropyl esterDTXSID901689466-methyl-2-(propan-2-yl)pyrimidin-4-yl dipropyl phosphate
Database identifiers
- CAS
1708-53-8- PubChem CID
- 134489
- DTXSID
DTXSID90168946
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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