Methyl 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Basic information
- CAS
19796-65-7- Standard SMILES
COC(=O)c1[nH]c(=O)[nH]c(=O)c1N- InChIKey
LHGAAYRFHBBGQL-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.04365571
Names & identifiers
- Preferred name
- Methyl 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
- IUPAC
- methyl 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
Names & synonyms
19796-65-7methyl 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylateDTXSID50291860RefChem:355971DTXCID10243002NSC78769methyl 5-aminoorotateNCIOpen2_000753SCHEMBL31330663METHYL 5-AMINO-2,6-DIOXO-3H-PYRIMIDINE-4-CARBOXYLATENSC-78769DS-001486
Show more names
EN300-6747510
Database identifiers
- CAS
19796-65-7- PubChem CID
- 254403
- DTXSID
DTXSID50291860
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 320
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Related reactions
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Compound notes
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