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1-Ethoxy-3-(5-ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)propan-2-yl hydrogen carbonimidate

HCID 46485
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
64038-08-0
Standard SMILES
CCOCC(CN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O
InChIKey
UNPWLFIDFLLMKR-UHFFFAOYSA-N
Molecular formula
C18H23N3O6
Average molar mass
377.4 g/mol
Monoisotopic mass
377.15868546

Names & identifiers

Preferred name
1-Ethoxy-3-(5-ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)propan-2-yl hydrogen carbonimidate
IUPAC
[1-ethoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate
English name
1-[2-(Aminocarbonyloxy)-3-ethoxypropyl]-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Molecular weight
0

Names & synonyms

64038-08-0DTXSID209820561-Ethoxy-3-(5-ethyl-4-hydroxy-2,6-dioxo-5-phenyl-5,6-dihydropyrimidin-1(2H)-yl)propan-2-yl hydrogen carbonimidateRefChem:1055377DTXCID901409321GO 517BRN 0588913Barbituric acid, 1-(3-ethoxy-2-hydroxypropyl)-5-ethyl-5-phenyl-, carbamate (ester)DB-2912041-[2-(Aminocarbonyloxy)-3-ethoxypropyl ]-5-ethyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrioneGO-5171-[2-(Aminocarbonyloxy)-3-ethoxypropyl]-5-ethyl-5-phenylbarbituric acid
Show more names
1-[2-(Aminocarbonyloxy)-3-ethoxypropyl]-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Database identifiers

CAS
64038-08-0
PubChem CID
46485
DTXSID
DTXSID20982056

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
128 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
27
Formal charge
0
Complexity
590

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
Nikkaji
J105.511I