5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C23H23F4N5O3S — CID 121428433

IUPAC5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H23F4N5O3S/c1-22(2,36(33,34)18-6-4-3-5-16(18)24)19-12-17(30-21(31-19)32-7-9-35-10-8-32)14-13-29-20(28)11-15(14)23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H2,28,29)
InChIKeyAJMIWLVUPREFQU-UHFFFAOYSA-N
MW525.53 g/mol
LogP3.82
Rot. Bonds5

About 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428433) has the molecular formula C23H23F4N5O3S and a molecular weight of 525.53 g/mol. Its IUPAC name is 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428433
Molecular FormulaC23H23F4N5O3S
Molecular Weight525.53 g/mol
Exact Mass525.15
IUPAC Name5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H23F4N5O3S/c1-22(2,36(33,34)18-6-4-3-5-16(18)24)19-12-17(30-21(31-19)32-7-9-35-10-8-32)14-13-29-20(28)11-15(14)23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H2,28,29)
InChIKeyAJMIWLVUPREFQU-UHFFFAOYSA-N
XLogP3.82
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428433) is 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AJMIWLVUPREFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O3S/c1-22(2,36(33,34)18-6-4-3-5-16(18)24)19-12-17(30-21(31-19)32-7-9-35-10-8-32)14-13-29-20(28)11-15(14)23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H2,28,29).
What are the key properties of 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 525.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(2-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).