Phosphoramidic acid, N-(2-pyrimidyl)-, diphenyl ester
Basic information
- CAS
10539-41-0- Standard SMILES
O=P(Nc1ncccn1)(Oc1ccccc1)Oc1ccccc1- InChIKey
FGFZWTAFBHAOCI-UHFFFAOYSA-N- Molecular formula
- C16H14N3O3P
- Average molar mass
- 327.27 g/mol
- Monoisotopic mass
- 327.07727831
Names & identifiers
- Preferred name
- Phosphoramidic acid, N-(2-pyrimidyl)-, diphenyl ester
- IUPAC
- N-diphenoxyphosphorylpyrimidin-2-amine
- English name
- N-(2-Pyrimidinyl)phosporamidic acid diphenyl ester
- Molecular formula
- C16H14N3O3P
- Molecular weight
- 327.27
Names & synonyms
10539-41-0Phosphoramidic acid, N-(2-pyrimidyl)-, diphenyl esterN-(2-Pyrimidyl)phosphoramidic acid diphenyl esterPhosphoramidic acid, 2-pyrimidinyl-, diphenyl esterG69G9FD29NNSC-95197Diphenyl N-2-pyrimidinylphosphoramidateDTXSID80147109RefChem:1095306DTXCID2069600N-diphenoxyphosphorylpyrimidin-2-amineDiphenyl-N-2-pyrimidylphosphoramidate
Show more names
Phosphoramidic acid, N-2-pyrimidinyl-, diphenyl ester
diphenyl pyrimidin-2-ylphosphoramidateNSC95197NSC 95197UNII-G69G9FD29NN-(2-Pyrimidinyl)phosporamidic acid diphenyl esterWLN: T6N CNJ BMPO&OR&ORDiphenyl 2-pyrimidinylamidophosphateSTK791830
Database identifiers
- CAS
10539-41-0- PubChem CID
- 96948
- DTXSID
DTXSID80147109- UNII
- G69G9FD29N
- Nikkaji
- J50.361D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 481.2 · 481.2±28.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 0.6 · 0.60±0.10(Predicted)
- FDA UNII
- 69 G9FD29N · G69G9FD29N
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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