Basic information
- CAS
64038-13-7- Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(CC(COC)OC(N)=O)C1=O- InChIKey
MQQPFLVCCBPWTI-UHFFFAOYSA-N- Molecular formula
- C17H21N3O6
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.1430354
Names & identifiers
- Preferred name
- 1-(5-Ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)-3-methoxypropan-2-yl hydrogen carbonimidate
- IUPAC
- [1-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3-methoxypropan-2-yl] carbamate
- English name
- 1-[2-(Aminocarbonyloxy)-3-methoxypropyl]-5-ethyl-5-phenylbarbituric acid
- Molecular formula
- C17H21N3O6
- Molecular weight
- 363.37
Names & synonyms
64038-13-7DTXSID709820611-(5-Ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)-3-methoxypropan-2-yl hydrogen carbonimidateRefChem:1054508DTXCID401409326GO 514BRN 0587762Barbituric acid, 5-ethyl-1-(2-hydroxy-3-methoxypropyl)-5-phenyl-, carbamate (ester)DB-2912071-[2-(Aminocarbonyloxy)-3-methoxypropyl ]-5-ethyl-5-phenylbarbituric acidGO-5141-[2-(Aminocarbonyloxy)-3-methoxypropyl]-5-ethyl-5-phenylbarbituric acid
Show more names
1-[2-(Aminocarbonyloxy)-3-methoxypropyl]-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(2H)-Pyrimidinetrione, 1-[2-[(aminocarbonyl)oxy]-3-methoxypropyl]-5-ethyltetrahydro-5-phenyl-
Database identifiers
- CAS
64038-13-7- PubChem CID
- 46491
- DTXSID
DTXSID70982061- Nikkaji
- J105.542I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 7.78 · 7.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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