N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C82H83F15N30O9S — CID 160875890

IUPACN-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)Nc1ncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1ncc(-c2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.Nc1ncc(-c2cc(OC3CCN(C(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C25H26F3N7O3.C20H24F3N7O3.C19H18F3N7O2S.C18H15F6N9O/c26-25(27,28)21-18(15-30-23(29)33-21)19-14-20(32-24(31-19)35-10-12-37-13-11-35)38-17-6-8-34(9-7-17)22(36)16-4-2-1-3-5-16;1-12(31)29-4-2-13(3-5-29)33-16-10-15(26-19(27-16)30-6-8-32-9-7-30)14-11-25-18(24)28-17(14)20(21,22)23;1-10(30)26-18-25-9-15(32-18)14-7-13(27-17(28-14)29-2-4-31-5-3-29)11-8-24-16(23)6-12(11)19(20,21)22;19-17(20,21)12-8(6-27-14(25)31-12)10-5-11(30-16(29-10)33-1-3-34-4-2-33)9-7-28-15(26)32-13(9)18(22,23)24/h1-5,14-15,17H,6-13H2,(H2,29,30,33);10-11,13H,2-9H2,1H3,(H2,24,25,28);6-9H,2-5H2,1H3,(H2,23,24)(H,25,26,30);5-7H,1-4H2,(H2,25,27,31)(H2,26,28,32)
InChIKeySMJQOIUUNUTUNI-UHFFFAOYSA-N
MW1949.80 g/mol
LogP10.30
Rot. Bonds16

About N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 160875890) has the molecular formula C82H83F15N30O9S and a molecular weight of 1949.80 g/mol. Its IUPAC name is N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID160875890
Molecular FormulaC82H83F15N30O9S
Molecular Weight1949.80 g/mol
Exact Mass1948.64
IUPAC NameN-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)Nc1ncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1ncc(-c2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.Nc1ncc(-c2cc(OC3CCN(C(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C25H26F3N7O3.C20H24F3N7O3.C19H18F3N7O2S.C18H15F6N9O/c26-25(27,28)21-18(15-30-23(29)33-21)19-14-20(32-24(31-19)35-10-12-37-13-11-35)38-17-6-8-34(9-7-17)22(36)16-4-2-1-3-5-16;1-12(31)29-4-2-13(3-5-29)33-16-10-15(26-19(27-16)30-6-8-32-9-7-30)14-11-25-18(24)28-17(14)20(21,22)23;1-10(30)26-18-25-9-15(32-18)14-7-13(27-17(28-14)29-2-4-31-5-3-29)11-8-24-16(23)6-12(11)19(20,21)22;19-17(20,21)12-8(6-27-14(25)31-12)10-5-11(30-16(29-10)33-1-3-34-4-2-33)9-7-28-15(26)32-13(9)18(22,23)24/h1-5,14-15,17H,6-13H2,(H2,29,30,33);10-11,13H,2-9H2,1H3,(H2,24,25,28);6-9H,2-5H2,1H3,(H2,23,24)(H,25,26,30);5-7H,1-4H2,(H2,25,27,31)(H2,26,28,32)
InChIKeySMJQOIUUNUTUNI-UHFFFAOYSA-N
XLogP10.30
TPSA500.18 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds16
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001949.80
LogP ≤ 510.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(4-morpholin-4-ylbutyl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 58236872
N-{3-[5-{2-[(3-{[2-(Dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-2-(1-piperidinyl)-1,3-thiazol-4-yl]phenyl}-2,6-difluorobenzamide
CID 67104848
N-[3-(5-{2-[(3-{[2-(Dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-2-{[3-(4-morpholinyl)propyl]amino}-1,3-thiazol-4-yl)phenyl]-2,6-difluorobenzamide
CID 86652792
3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide
CID 123261090
4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;methane
CID 157193505
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-pyridin-4-ylpyrimidin-4-amine;N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;tert-butyl 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[2-morpholin-4-yl-6-[(3R)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[(3S)-oxolan-3-yl]oxypyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 157406128
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 157678934
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-[2-(diethylamino)ethyl]-1,3-thiazol-2-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(diethylaminomethyl)-1,3-thiazol-2-amine;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 158413262
2-Cycloheptyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 158534300
6-[4-(1-Acetylpiperidin-3-yl)-1-methylimidazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpiperidin-4-yl)pyrimidin-5-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-8-phenyl-6-[5-(1-prop-1-en-2-ylpyrrolidin-2-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 158555264
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxy-3-pyridinyl]pyrimidin-4-amine;[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(5-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 158779723
N-[6-(6-amino-4-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine;6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;N-[3-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;methyl 4-[6-(2-amino-6-oxo-1H-pyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 159244863

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 160875890) is N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is CC(=O)N1CCC(Oc2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.CC(=O)Nc1ncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)s1.Nc1ncc(-c2cc(-c3cnc(N)nc3C(F)(F)F)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.Nc1ncc(-c2cc(OC3CCN(C(=O)c4ccccc4)CC3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SMJQOIUUNUTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O3.C20H24F3N7O3.C19H18F3N7O2S.C18H15F6N9O/c26-25(27,28)21-18(15-30-23(29)33-21)19-14-20(32-24(31-19)35-10-12-37-13-11-35)38-17-6-8-34(9-7-17)22(36)16-4-2-1-3-5-16;1-12(31)29-4-2-13(3-5-29)33-16-10-15(26-19(27-16)30-6-8-32-9-7-30)14-11-25-18(24)28-17(14)20(21,22)23;1-10(30)26-18-25-9-15(32-18)14-7-13(27-17(28-14)29-2-4-31-5-3-29)11-8-24-16(23)6-12(11)19(20,21)22;19-17(20,21)12-8(6-27-14(25)31-12)10-5-11(30-16(29-10)33-1-3-34-4-2-33)9-7-28-15(26)32-13(9)18(22,23)24/h1-5,14-15,17H,6-13H2,(H2,29,30,33);10-11,13H,2-9H2,1H3,(H2,24,25,28);6-9H,2-5H2,1H3,(H2,23,24)(H,25,26,30);5-7H,1-4H2,(H2,25,27,31)(H2,26,28,32).
What are the key properties of N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 1949.80 g/mol, XLogP of 10.30, 16 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide;1-[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]ethanone;[4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-phenylmethanone;5-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 160875890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).