2-Amino-4-(isopropylsulfanyl)-6-(2-thienyl)-5-pyrimidinecarbonitrile
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Basic information
- CAS
478067-17-3- Standard SMILES
CC(C)Sc1nc(N)nc(-c2cccs2)c1C#N- InChIKey
KPHVHDJMBYAUEL-UHFFFAOYSA-N- Molecular formula
- C12H12N4S2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.05033875
Names & identifiers
- Preferred name
- 2-Amino-4-(isopropylsulfanyl)-6-(2-thienyl)-5-pyrimidinecarbonitrile
- IUPAC
- 2-amino-4-propan-2-ylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrile
- English name
- 2-AMINO-4-(ISOPROPYLSULFANYL)-6-(2-THIENYL)-5-PYRIMIDINECARBONITRILE
- Molecular formula
- C12H12N4S2
- Molecular weight
- 276.38
Names & synonyms
478067-17-32-amino-4-(isopropylsulfanyl)-6-(2-thienyl)-5-pyrimidinecarbonitrileMFCD020834702-amino-4-(propan-2-ylsulfanyl)-6-(thiophen-2-yl)pyrimidine-5-carbonitrile2-amino-4-propan-2-ylsulfanyl-6-thiophen-2-ylpyrimidine-5-carbonitrileSMR000179630MLS000327049CHEMBL1570908HMS2293H13AKOS0159933997M-611S2-amino-4-isopropylsulfanyl-6-(2-thienyl)pyrimidine-5-carbonitrile
Show more names
5-Pyrimidinecarbonitrile, 2-amino-4-[(1-methylethyl)thio]-6-(2-thienyl)-
Database identifiers
- CAS
478067-17-3- PubChem CID
- 1484458
- ChEMBL
CHEMBL1570908
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 541.5 · 541.5±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -0.09 · -0.09±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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