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Basic information
- CAS
56797-77-4- Standard SMILES
Nn1c(=O)cc[nH]c1=O- InChIKey
LGDHWEGQMXIZPI-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.0381764
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, amino-
- IUPAC
- 3-amino-1H-pyrimidine-2,4-dione
Names & synonyms
2,4(1H,3H)-Pyrimidinedione, amino-Amino-2,4(1H,3H)-pyrimidinedione56797-77-4DTXSID90205340RefChem:245371DTXCID901278313-AminouracilSCHEMBL1854631LGDHWEGQMXIZPI-UHFFFAOYSA-NAKOS0063551453-aminopyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
56797-77-4- PubChem CID
- 148782
- DTXSID
DTXSID90205340
Properties
Computed structural propertiesFilling in
- XLogP
- -1.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 186
Related reactions
7 records
Compound notes
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