5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C80H96F12N20O12S4 — CID 161002413

IUPAC5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(=O)(=O)c1ccccc1.CC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)S(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C23H24F3N5O3S.C20H26F3N5O3S.C19H24F3N5O3S.C18H22F3N5O3S/c1-22(2,35(32,33)15-6-4-3-5-7-15)19-13-18(29-21(30-19)31-8-10-34-11-9-31)16-14-28-20(27)12-17(16)23(24,25)26;1-12(2)32(29,30)19(3,4)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23;1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(2,3)31(4,28)29)12-9-24-16(23)7-13(12)19(20,21)22;1-17(2,30(3,27)28)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h3-7,12-14H,8-11H2,1-2H3,(H2,27,28);9-12H,5-8H2,1-4H3,(H2,24,25);7-9,11H,5-6,10H2,1-4H3,(H2,23,24);8-10H,4-7H2,1-3H3,(H2,22,23)/t;;11-;/m..0./s1
InChIKeyTWBCCMNPIOSICF-MCWBHULYSA-N
MW1886.02 g/mol
LogP11.62
Rot. Bonds18

About 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161002413) has the molecular formula C80H96F12N20O12S4 and a molecular weight of 1886.02 g/mol. Its IUPAC name is 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID161002413
Molecular FormulaC80H96F12N20O12S4
Molecular Weight1886.02 g/mol
Exact Mass1884.62
IUPAC Name5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(=O)(=O)c1ccccc1.CC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)S(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C23H24F3N5O3S.C20H26F3N5O3S.C19H24F3N5O3S.C18H22F3N5O3S/c1-22(2,35(32,33)15-6-4-3-5-7-15)19-13-18(29-21(30-19)31-8-10-34-11-9-31)16-14-28-20(27)12-17(16)23(24,25)26;1-12(2)32(29,30)19(3,4)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23;1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(2,3)31(4,28)29)12-9-24-16(23)7-13(12)19(20,21)22;1-17(2,30(3,27)28)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h3-7,12-14H,8-11H2,1-2H3,(H2,27,28);9-12H,5-8H2,1-4H3,(H2,24,25);7-9,11H,5-6,10H2,1-4H3,(H2,23,24);8-10H,4-7H2,1-3H3,(H2,22,23)/t;;11-;/m..0./s1
InChIKeyTWBCCMNPIOSICF-MCWBHULYSA-N
XLogP11.62
TPSA445.20 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001886.02
LogP ≤ 511.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

5-[6-(2-Methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428440
5-[6-[Fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442
5-[6-[1-(3-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428444
5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428449
5-[6-[2-(Benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428457
5-[6-[Difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428461
5-[2-Morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428467
5-[6-(2-Ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428468
5-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428487
5-[6-(1-Methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428488
5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428489
5-[6-(1-Methylsulfonylcyclopentyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428490

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 161002413) is 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(=O)(=O)c1ccccc1.CC(C)(c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(C)(=O)=O.CC(C)S(=O)(=O)C(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.C[C@H]1COCCN1c1nc(-c2cnc(N)cc2C(F)(F)F)cc(C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is TWBCCMNPIOSICF-MCWBHULYSA-N. The full InChI is InChI=1S/C23H24F3N5O3S.C20H26F3N5O3S.C19H24F3N5O3S.C18H22F3N5O3S/c1-22(2,35(32,33)15-6-4-3-5-7-15)19-13-18(29-21(30-19)31-8-10-34-11-9-31)16-14-28-20(27)12-17(16)23(24,25)26;1-12(2)32(29,30)19(3,4)16-10-15(26-18(27-16)28-5-7-31-8-6-28)13-11-25-17(24)9-14(13)20(21,22)23;1-11-10-30-6-5-27(11)17-25-14(8-15(26-17)18(2,3)31(4,28)29)12-9-24-16(23)7-13(12)19(20,21)22;1-17(2,30(3,27)28)14-9-13(24-16(25-14)26-4-6-29-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h3-7,12-14H,8-11H2,1-2H3,(H2,27,28);9-12H,5-8H2,1-4H3,(H2,24,25);7-9,11H,5-6,10H2,1-4H3,(H2,23,24);8-10H,4-7H2,1-3H3,(H2,22,23)/t;;11-;/m..0./s1.
What are the key properties of 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1886.02 g/mol, XLogP of 11.62, 18 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-(2-propan-2-ylsulfonylpropan-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161002413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).