5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C20H19F3N6O3S — CID 59507511

IUPAC5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H19F3N6O3S/c1-33(30,31)13-6-12(9-25-10-13)16-8-17(28-19(27-16)29-2-4-32-5-3-29)14-11-26-18(24)7-15(14)20(21,22)23/h6-11H,2-5H2,1H3,(H2,24,26)
InChIKeyNZMLHTMBEVBCFA-UHFFFAOYSA-N
MW480.47 g/mol
LogP2.44
Rot. Bonds4

About 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 59507511) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID59507511
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC Name5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H19F3N6O3S/c1-33(30,31)13-6-12(9-25-10-13)16-8-17(28-19(27-16)29-2-4-32-5-3-29)14-11-26-18(24)7-15(14)20(21,22)23/h6-11H,2-5H2,1H3,(H2,24,26)
InChIKeyNZMLHTMBEVBCFA-UHFFFAOYSA-N
XLogP2.44
TPSA124.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 59507511) is 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)c1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NZMLHTMBEVBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c1-33(30,31)13-6-12(9-25-10-13)16-8-17(28-19(27-16)29-2-4-32-5-3-29)14-11-26-18(24)7-15(14)20(21,22)23/h6-11H,2-5H2,1H3,(H2,24,26).
What are the key properties of 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 480.47 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59507511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).