5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C19H24F3N7O3S — CID 78324545

IUPAC5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(c2nc(-c3cnc(N)cc3C(F)(F)F)cc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H24F3N7O3S/c1-33(30,31)29-4-2-28(3-5-29)18-25-15(11-17(26-18)27-6-8-32-9-7-27)13-12-24-16(23)10-14(13)19(20,21)22/h10-12H,2-9H2,1H3,(H2,23,24)
InChIKeyHBOPEMPDJCTADG-UHFFFAOYSA-N
MW487.51 g/mol
LogP1.06
Rot. Bonds4

About 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 78324545) has the molecular formula C19H24F3N7O3S and a molecular weight of 487.51 g/mol. Its IUPAC name is 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID78324545
Molecular FormulaC19H24F3N7O3S
Molecular Weight487.51 g/mol
Exact Mass487.16
IUPAC Name5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)N1CCN(c2nc(-c3cnc(N)cc3C(F)(F)F)cc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H24F3N7O3S/c1-33(30,31)29-4-2-28(3-5-29)18-25-15(11-17(26-18)27-6-8-32-9-7-27)13-12-24-16(23)10-14(13)19(20,21)22/h10-12H,2-9H2,1H3,(H2,23,24)
InChIKeyHBOPEMPDJCTADG-UHFFFAOYSA-N
XLogP1.06
TPSA117.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 78324545) is 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)N1CCN(c2nc(-c3cnc(N)cc3C(F)(F)F)cc(N3CCOCC3)n2)CC1.
What is the InChIKey of 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is HBOPEMPDJCTADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O3S/c1-33(30,31)29-4-2-28(3-5-29)18-25-15(11-17(26-18)27-6-8-32-9-7-27)13-12-24-16(23)10-14(13)19(20,21)22/h10-12H,2-9H2,1H3,(H2,23,24).
What are the key properties of 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 487.51 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 78324545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).