2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-
Basic information
- CAS
125057-05-8- Standard SMILES
Cc1c(N)nc(=O)n(COCCO)c1Sc1ccccc1- InChIKey
FNJBWJNDYREPJF-UHFFFAOYSA-N- Molecular formula
- C14H17N3O3S
- Average molar mass
- 307.37 g/mol
- Monoisotopic mass
- 307.09906259
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-
- IUPAC
- 4-amino-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidin-2-one
Names & synonyms
125057-05-82(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-2(1H)-Pyrimidinone, 4-amino-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylthio)-CHEMBL31894SCHEMBL9353939DTXSID901546221-[(2-Hydroxyethoxy)methyl]-5-methyl-6-phenylthiocytosine4-amino-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidin-2-one4-Amino-1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)pyrimidin-2(1H)-one
Database identifiers
- CAS
125057-05-8- PubChem CID
- 452953
- DTXSID
DTXSID90154622- ChEMBL
CHEMBL31894- Nikkaji
- J377.567D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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