5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C96H109ClF9N25O15S5 — CID 161488538

IUPAC5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CCS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3Cl)nc(N3CCOCC3)n2)CC1.Nc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H22F3N5O3S.C20H24F3N5O3S.C19H22F3N5O3S.C17H20ClN5O3S.C17H21N5O3S/c24-23(25,26)17-12-20(27)28-14-16(17)18-13-19(30-21(29-18)31-8-10-34-11-9-31)22(6-7-22)35(32,33)15-4-2-1-3-5-15;1-12(2)32(29,30)19(3-4-19)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;1-2-31(28,29)18(3-4-18)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22;1-27(24,25)17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23;1-26(23,24)17(4-5-17)14-10-13(12-2-3-15(18)19-11-12)20-16(21-14)22-6-8-25-9-7-22/h1-5,12-14H,6-11H2,(H2,27,28);9-12H,3-8H2,1-2H3,(H2,24,25);9-11H,2-8H2,1H3,(H2,23,24);8-10H,2-7H2,1H3,(H2,19,20);2-3,10-11H,4-9H2,1H3,(H2,18,19)
InChIKeyWFHISSIYYHIEAG-UHFFFAOYSA-N
MW2219.86 g/mol
LogP11.26
Rot. Bonds23

About 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161488538) has the molecular formula C96H109ClF9N25O15S5 and a molecular weight of 2219.86 g/mol. Its IUPAC name is 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID161488538
Molecular FormulaC96H109ClF9N25O15S5
Molecular Weight2219.86 g/mol
Exact Mass2217.67
IUPAC Name5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)S(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CCS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3Cl)nc(N3CCOCC3)n2)CC1.Nc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H22F3N5O3S.C20H24F3N5O3S.C19H22F3N5O3S.C17H20ClN5O3S.C17H21N5O3S/c24-23(25,26)17-12-20(27)28-14-16(17)18-13-19(30-21(29-18)31-8-10-34-11-9-31)22(6-7-22)35(32,33)15-4-2-1-3-5-15;1-12(2)32(29,30)19(3-4-19)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;1-2-31(28,29)18(3-4-18)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22;1-27(24,25)17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23;1-26(23,24)17(4-5-17)14-10-13(12-2-3-15(18)19-11-12)20-16(21-14)22-6-8-25-9-7-22/h1-5,12-14H,6-11H2,(H2,27,28);9-12H,3-8H2,1-2H3,(H2,24,25);9-11H,2-8H2,1H3,(H2,23,24);8-10H,2-7H2,1H3,(H2,19,20);2-3,10-11H,4-9H2,1H3,(H2,18,19)
InChIKeyWFHISSIYYHIEAG-UHFFFAOYSA-N
XLogP11.26
TPSA556.50 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds23
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.86
LogP ≤ 511.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[6-[1-(3-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428444
5-[6-[2-(Benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428457
5-[6-[1-(Benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428564
5-[6-[1-(4-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 132037143
5-[6-[1-(2-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 132037195
2-[5-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-3-yl]sulfonylethanol
CID 59507499
5-[6-(5-Methylsulfonylpyridin-3-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507511
5-[6-[2-(2-Fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428433
4-Chloro-5-[6-[1-(2-fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428434
5-[6-[2-(4-Fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428446
4-Chloro-5-[6-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 121428447
5-[6-[1-(2-Chlorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 132037200

Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 161488538) is 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)S(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CCS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)CC1.CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3Cl)nc(N3CCOCC3)n2)CC1.Nc1cc(C(F)(F)F)c(-c2cc(C3(S(=O)(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WFHISSIYYHIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3S.C20H24F3N5O3S.C19H22F3N5O3S.C17H20ClN5O3S.C17H21N5O3S/c24-23(25,26)17-12-20(27)28-14-16(17)18-13-19(30-21(29-18)31-8-10-34-11-9-31)22(6-7-22)35(32,33)15-4-2-1-3-5-15;1-12(2)32(29,30)19(3-4-19)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;1-2-31(28,29)18(3-4-18)15-10-14(25-17(26-15)27-5-7-30-8-6-27)12-11-24-16(23)9-13(12)19(20,21)22;1-27(24,25)17(2-3-17)14-9-13(11-10-20-15(19)8-12(11)18)21-16(22-14)23-4-6-26-7-5-23;1-26(23,24)17(4-5-17)14-10-13(12-2-3-15(18)19-11-12)20-16(21-14)22-6-8-25-9-7-22/h1-5,12-14H,6-11H2,(H2,27,28);9-12H,3-8H2,1-2H3,(H2,24,25);9-11H,2-8H2,1H3,(H2,23,24);8-10H,2-7H2,1H3,(H2,19,20);2-3,10-11H,4-9H2,1H3,(H2,18,19).
What are the key properties of 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2219.86 g/mol, XLogP of 11.26, 23 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-(benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;4-chloro-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(1-ethylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[2-morpholin-4-yl-6-(1-propan-2-ylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161488538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).