6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine

C23H18F2N4OS — CID 118676314

IUPAC6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cc2ccc(F)cc2)cc(Nc2ccc(Oc3ccc(F)cn3)cc2)n1
InChIInChI=1S/C23H18F2N4OS/c1-31-23-28-19(12-15-2-4-16(24)5-3-15)13-21(29-23)27-18-7-9-20(10-8-18)30-22-11-6-17(25)14-26-22/h2-11,13-14H,12H2,1H3,(H,27,28,29)
InChIKeyFFNMAZGGIXFSRQ-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.00
Rot. Bonds7

About 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine

6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 118676314) has the molecular formula C23H18F2N4OS and a molecular weight of 436.49 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine
PubChem CID118676314
Molecular FormulaC23H18F2N4OS
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cc2ccc(F)cc2)cc(Nc2ccc(Oc3ccc(F)cn3)cc2)n1
InChIInChI=1S/C23H18F2N4OS/c1-31-23-28-19(12-15-2-4-16(24)5-3-15)13-21(29-23)27-18-7-9-20(10-8-18)30-22-11-6-17(25)14-26-22/h2-11,13-14H,12H2,1H3,(H,27,28,29)
InChIKeyFFNMAZGGIXFSRQ-UHFFFAOYSA-N
XLogP6.00
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine (CID 118676314) is 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cc2ccc(F)cc2)cc(Nc2ccc(Oc3ccc(F)cn3)cc2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FFNMAZGGIXFSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS/c1-31-23-28-19(12-15-2-4-16(24)5-3-15)13-21(29-23)27-18-7-9-20(10-8-18)30-22-11-6-17(25)14-26-22/h2-11,13-14H,12H2,1H3,(H,27,28,29).
What are the key properties of 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine?
6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 436.49 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-N-[4-[(5-fluoro-2-pyridinyl)oxy]phenyl]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 118676314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).