2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
Basic information
- CAS
1090835-73-6- Standard SMILES
CC(C)C(NC(=O)CSc1nc(N)cc(=O)[nH]1)c1ccc(F)cc1- InChIKey
XMORCXPHRAUTPQ-UHFFFAOYSA-N- Molecular formula
- C16H19FN4O2S
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.1212752
Names & identifiers
- Preferred name
- 2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
- IUPAC
- 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
Names & synonyms
1090835-73-6DTXSID801116654AKOS0337327872-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamideZ2013848902-[(4-Amino-1,6-dihydro-6-oxo-2-pyrimidinyl)thio]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide2-[(6-Amino-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
Database identifiers
- CAS
1090835-73-6- PubChem CID
- 135877409
- DTXSID
DTXSID801116654
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 542
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Compound notes
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