5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid
Basic information
- CAS
105339-42-2- Standard SMILES
Cc1cccc(CC2(C)C(=O)NC(=S)NC2=O)n1- InChIKey
HYCHBLWKBCEYST-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2S
- Average molar mass
- 263.32 g/mol
- Monoisotopic mass
- 263.07284784
Names & identifiers
- Preferred name
- 5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acid
- IUPAC
- 5-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
105339-42-2BRN 06173455-Lutidyl-5-methylthiobarbituric acid5-Methyl-5-((6-methyl-2-pyridyl)methyl)-2-thiobarbituric acidBARBITURIC ACID, 5-METHYL-5-((6-METHYL-2-PYRIDYL)METHYL)-2-THIO-DTXSID309094514,6-Dihydroxy-5-methyl-5-[(6-methylpyridin-2-yl)methyl]pyrimidine-2(5H)-thione
Database identifiers
- CAS
105339-42-2- PubChem CID
- 3033809
- DTXSID
DTXSID30909451
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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