6-[(2-Aminoethyl)sulfanyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
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Basic information
- CAS
791027-49-1- Standard SMILES
Cn1c(SCCN)cc(=O)n(C)c1=O- InChIKey
PNENKRMTYKFFBF-UHFFFAOYSA-N- Molecular formula
- C8H13N3O2S
- Average molar mass
- 215.28 g/mol
- Monoisotopic mass
- 215.07284784
Names & identifiers
- Preferred name
- 6-[(2-Aminoethyl)sulfanyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- IUPAC
- 6-(2-aminoethylsulfanyl)-1,3-dimethylpyrimidine-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione,6-[(2-aminoethyl)thio]-1,3-dimethyl-(9CI)
- Molecular formula
- C8H13N3O2S
- Molecular weight
- 215.27
Names & synonyms
791027-49-16-[(2-aminoethyl)sulfanyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneDB-269340EN300-10854532,4(1H,3H)-PYRIMIDINEDIONE, 6-[(2-AMINOETHYL)THIO]-1,3-DIMETHYL-2,4(1H,3H)-Pyrimidinedione,6-[(2-aminoethyl)thio]-1,3-dimethyl-(9CI)
Database identifiers
- CAS
791027-49-1- PubChem CID
- 45097437
- Nikkaji
- J454.644J
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
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Compound notes
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