1(2H)-Pyrimidineacetic acid, 3,6-dihydro-5-bromo-2,6-dioxo-4-methyl-3-phenyl-
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Basic information
- CAS
38523-05-6- Standard SMILES
Cc1c(Br)c(=O)n(CC(=O)O)c(=O)n1-c1ccccc1- InChIKey
YGJBTNBMZIQBMT-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O4
- Average molar mass
- 339.14 g/mol
- Monoisotopic mass
- 337.99022
Names & identifiers
- Preferred name
- 1(2H)-Pyrimidineacetic acid, 3,6-dihydro-5-bromo-2,6-dioxo-4-methyl-3-phenyl-
- IUPAC
- 2-(5-bromo-4-methyl-2,6-dioxo-3-phenylpyrimidin-1-yl)acetic acid
- English name
- 1(2H)-Pyrimidineacetic acid, 3,6-dihydro-5-bromo-2,6-dioxo-4-methyl-3- phenyl-
- Molecular formula
- C13H11BrN2O4
- Molecular weight
- 339.144
Names & synonyms
38523-05-6BRN 08199921(2H)-Pyrimidineacetic acid, 3,6-dihydro-5-bromo-2,6-dioxo-4-methyl-3-phenyl-DTXSID101918525-24-07-00044 (Beilstein Handbook Reference)3,6-Dihydro-5-bromo-2,6-dioxo-4-methyl-3-phenyl-1(2H)-pyrimidineacetic acidRefChem:211648DTXCID50114343(5-bromo-4-methyl-2,6-dioxo-3-phenyl-3,6-dihydropyrimidin-1(2h)-yl)acetic acidDB-2785761(2H)-Pyrimidineacetic acid, 3,6-dihydro-5-bromo-2,6-dioxo-4-methyl-3- phenyl-
Database identifiers
- CAS
38523-05-6- PubChem CID
- 217308
- DTXSID
DTXSID10191852
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
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Compound notes
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