2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C64H69ClF14N20O11S3 — CID 159996428

IUPAC2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(O)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20F3N5O2.C16H16F5N5O3S.C16H17F4N5O3S.C15H16ClF2N5O3S/c1-16(2,26)13-8-12(23-15(24-13)25-3-5-27-6-4-25)10-9-22-14(21)7-11(10)17(18,19)20;1-30(27,28)16(20,21)12-7-11(24-14(25-12)26-2-4-29-5-3-26)9-8-23-13(22)6-10(9)15(17,18)19;1-29(26,27)14(17)12-7-11(23-15(24-12)25-2-4-28-5-3-25)9-8-22-13(21)6-10(9)16(18,19)20;1-27(24,25)15(17,18)12-7-11(9-8-20-13(19)6-10(9)16)21-14(22-12)23-2-4-26-5-3-23/h7-9,26H,3-6H2,1-2H3,(H2,21,22);6-8H,2-5H2,1H3,(H2,22,23);6-8,14H,2-5H2,1H3,(H2,21,22);6-8H,2-5H2,1H3,(H2,19,20)
InChIKeyOHPFPHGRNMDMMJ-UHFFFAOYSA-N
MW1692.01 g/mol
LogP7.97
Rot. Bonds15

About 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159996428) has the molecular formula C64H69ClF14N20O11S3 and a molecular weight of 1692.01 g/mol. Its IUPAC name is 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID159996428
Molecular FormulaC64H69ClF14N20O11S3
Molecular Weight1692.01 g/mol
Exact Mass1690.41
IUPAC Name2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(O)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20F3N5O2.C16H16F5N5O3S.C16H17F4N5O3S.C15H16ClF2N5O3S/c1-16(2,26)13-8-12(23-15(24-13)25-3-5-27-6-4-25)10-9-22-14(21)7-11(10)17(18,19)20;1-30(27,28)16(20,21)12-7-11(24-14(25-12)26-2-4-29-5-3-26)9-8-23-13(22)6-10(9)15(17,18)19;1-29(26,27)14(17)12-7-11(23-15(24-12)25-2-4-28-5-3-25)9-8-22-13(21)6-10(9)16(18,19)20;1-27(24,25)15(17,18)12-7-11(9-8-20-13(19)6-10(9)16)21-14(22-12)23-2-4-26-5-3-23/h7-9,26H,3-6H2,1-2H3,(H2,21,22);6-8H,2-5H2,1H3,(H2,22,23);6-8,14H,2-5H2,1H3,(H2,21,22);6-8H,2-5H2,1H3,(H2,19,20)
InChIKeyOHPFPHGRNMDMMJ-UHFFFAOYSA-N
XLogP7.97
TPSA431.29 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001692.01
LogP ≤ 57.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

(3S)-4-[4-chloro-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-2-yl]-3-methylmorpholine;(3S)-4-[4-chloro-6-(propan-2-ylsulfonylmethyl)pyrimidin-2-yl]-3-methylmorpholine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-propan-2-ylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 159003632
4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclobutyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclobutyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159322316
4-Chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 159609430
2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159812940
1-[2-Amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 160780842
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
4-[4-Chloro-6-[1-(methylsulfonylmethyl)cyclopropyl]pyrimidin-2-yl]morpholine;5-[6-[1-(methylsulfonylmethyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 162167716
4-[4-Chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]morpholine;4-chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;4-[4-chloro-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]morpholine
CID 157495961
4-[4-(Benzenesulfonylmethyl)-6-chloropyrimidin-2-yl]morpholine;4-[4-[2-(benzenesulfonyl)propan-2-yl]-6-chloropyrimidin-2-yl]morpholine;5-[6-[2-(benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-chloropyridin-2-amine;4-[4-chloro-6-(chloromethyl)pyrimidin-2-yl]morpholine;(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)methanol;4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;methane
CID 157755498
2-[(S)-methylsulfinyl]ethyl 4-[(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate;2-[(R)-methylsulfinyl]ethyl 4-[(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 158170394

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 159996428) is 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)(O)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)(F)c1cc(-c2cnc(N)cc2Cl)nc(N2CCOCC2)n1.CS(=O)(=O)C(F)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OHPFPHGRNMDMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2.C16H16F5N5O3S.C16H17F4N5O3S.C15H16ClF2N5O3S/c1-16(2,26)13-8-12(23-15(24-13)25-3-5-27-6-4-25)10-9-22-14(21)7-11(10)17(18,19)20;1-30(27,28)16(20,21)12-7-11(24-14(25-12)26-2-4-29-5-3-26)9-8-23-13(22)6-10(9)15(17,18)19;1-29(26,27)14(17)12-7-11(23-15(24-12)25-2-4-28-5-3-25)9-8-22-13(21)6-10(9)16(18,19)20;1-27(24,25)15(17,18)12-7-11(9-8-20-13(19)6-10(9)16)21-14(22-12)23-2-4-26-5-3-23/h7-9,26H,3-6H2,1-2H3,(H2,21,22);6-8H,2-5H2,1H3,(H2,22,23);6-8,14H,2-5H2,1H3,(H2,21,22);6-8H,2-5H2,1H3,(H2,19,20).
What are the key properties of 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1692.01 g/mol, XLogP of 7.97, 15 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159996428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).