5-[Ethyl(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
Basic information
- CAS
6336-22-7- Standard SMILES
CCN(CCO)c1c[nH]c(=O)[nH]c1=O- InChIKey
ADFUHJUOPXUUBR-UHFFFAOYSA-N- Molecular formula
- C8H13N3O3
- Average molar mass
- 199.21 g/mol
- Monoisotopic mass
- 199.09569129
Names & identifiers
- Preferred name
- 5-[Ethyl(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 5-[ethyl(2-hydroxyethyl)amino]-1H-pyrimidine-2,4-dione
Names & synonyms
6336-22-75-[ethyl(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dioneNSC38193DTXSID40284665NSC-38193
Database identifiers
- CAS
6336-22-7- PubChem CID
- 236128
- DTXSID
DTXSID40284665
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…