(6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinylmethyl]cinnamic acid
Basic information
- Standard SMILES
Cn1c(N)c(CC(=Cc2ccccc2)C(=O)O)c(=O)n(C)c1=O- InChIKey
NUOCKWQMELNPEC-UHFFFAOYSA-N- Molecular formula
- C16H17N3O4
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.12190603
Names & identifiers
- Preferred name
- (6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinylmethyl]cinnamic acid
- IUPAC
- 2-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methyl]-3-phenylprop-2-enoic acid
Names & synonyms
NUOCKWQMELNPEC-UHFFFAOYSA-N(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinylmethyl]cinnamic acid
Database identifiers
- PubChem CID
- 86744444
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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