4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine

C23H23F3N4O3S — CID 16657179

IUPAC4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(CCc1cccc(C(F)(F)F)c1)Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H23F3N4O3S/c24-23(25,26)18-5-3-4-17(14-18)7-13-34(31,32)16-19-15-21(30-9-11-33-12-10-30)29-22(28-19)20-6-1-2-8-27-20/h1-6,8,14-15H,7,9-13,16H2
InChIKeyRBFKQGLVCQEYGU-UHFFFAOYSA-N
MW492.52 g/mol
LogP3.55
Rot. Bonds7

About 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine

4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine (PubChem CID 16657179) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine
PubChem CID16657179
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC Name4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(CCc1cccc(C(F)(F)F)c1)Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H23F3N4O3S/c24-23(25,26)18-5-3-4-17(14-18)7-13-34(31,32)16-19-15-21(30-9-11-33-12-10-30)29-22(28-19)20-6-1-2-8-27-20/h1-6,8,14-15H,7,9-13,16H2
InChIKeyRBFKQGLVCQEYGU-UHFFFAOYSA-N
XLogP3.55
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine (CID 16657179) is 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine is O=S(=O)(CCc1cccc(C(F)(F)F)c1)Cc1cc(N2CCOCC2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine?
The InChIKey is RBFKQGLVCQEYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c24-23(25,26)18-5-3-4-17(14-18)7-13-34(31,32)16-19-15-21(30-9-11-33-12-10-30)29-22(28-19)20-6-1-2-8-27-20/h1-6,8,14-15H,7,9-13,16H2.
What are the key properties of 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine?
4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine has a molecular weight of 492.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-pyridin-2-yl-6-[2-[3-(trifluoromethyl)phenyl]ethylsulfonylmethyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 16657179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).