4-[4-(Dimethylamino)phenyl]-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
Basic information
- CAS
5185-15-9- Standard SMILES
CN(C)c1ccc(-c2[nH]c(=S)[nH]c(=O)c2C#N)cc1- InChIKey
NZCHSGKDKQKDBL-UHFFFAOYSA-N- Molecular formula
- C13H12N4OS
- Average molar mass
- 272.33 g/mol
- Monoisotopic mass
- 272.07318219
Names & identifiers
- Preferred name
- 4-[4-(Dimethylamino)phenyl]-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
- IUPAC
- 6-[4-(dimethylamino)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Names & synonyms
4-[4-(dimethylamino)phenyl]-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile5185-15-9ChemDiv3_007114Oprea1_219896TQR960DTXSID80966175NZCHSGKDKQKDBL-UHFFFAOYSA-NHMS1493D08SBB041890AKOS000270092AKOS001735979IDI1_025024
Show more names
ST50215578SR-01000528990SR-01000528990-1BRD-K70159463-001-01-24-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile4-[4-(Dimethylamino)phenyl]-6-oxo-2-sulfanyl-1,6-dihydro-5-pyrimidinecarbonitrile #4-[4-(dimethylamino)phenyl]-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile6-[4-(dimethylamino)phenyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Database identifiers
- CAS
5185-15-9、70638-55-0- PubChem CID
- 787657
- DTXSID
DTXSID80966175
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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