2-[[(2,3-Difluorophenyl)methyl]thio]4-[[(1R)-2-hydroxy-1-methylethyl]amino]-7(8H)-pteridinone
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Basic information
- Standard SMILES
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12- InChIKey
LTHIETOWBQBYAF-MRVPVSSYSA-N- Molecular formula
- C16H15F2N5O2S
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- 2-[[(2,3-Difluorophenyl)methyl]thio]4-[[(1R)-2-hydroxy-1-methylethyl]amino]-7(8H)-pteridinone
- IUPAC
- 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]-8H-pteridin-7-one
Names & synonyms
CHEMBL2566682-[[(2,3-Difluorophenyl)methyl]thio]4-[[(1R)-2-hydroxy-1-methylethyl]amino]-7(8H)-pteridinone2-[[(2,3-Difluorophenyl]methyl]thio]4-[[(1R)-2-hydroxy-1-methylethyl]amino]-7(8H)-pteridinoneSCHEMBL3850612LTHIETOWBQBYAF-MRVPVSSYSA-NBDBM503717892-[[(2,3-difluorophenyl)methyl]thio]-4-[[(1R)-2-hydroxy-1-methylethyl]amino]-7(8H)-pteridinone
Database identifiers
- PubChem CID
- 44455014
- ChEMBL
CHEMBL256668
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 529
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Related reactions
4 records
Compound notes
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