4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C102H126F16N32O13S — CID 159866650

IUPAC4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC.CC(C)NC(=O)C1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.C[C@H]1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(C(=O)NC4CCOCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCS(=O)(=O)CC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CC[C@H](F)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H30F3N7O4.C22H28F3N7O3.C19H23F3N6O2.C18H20F4N6O.C18H21F3N6O3S.CH4/c25-24(26,27)17-11-20(28)29-13-16(17)18-12-21(32-23(31-18)33-3-8-37-9-4-33)34-5-10-38-19(14-34)22(35)30-15-1-6-36-7-2-15;1-13(2)28-20(33)17-12-32(5-8-35-17)19-10-16(29-21(30-19)31-3-6-34-7-4-31)14-11-27-18(26)9-15(14)22(23,24)25;1-12-11-28(4-7-30-12)17-9-15(25-18(26-17)27-2-5-29-6-3-27)13-10-24-16(23)8-14(13)19(20,21)22;19-11-1-2-28(10-11)16-8-14(25-17(26-16)27-3-5-29-6-4-27)12-9-24-15(23)7-13(12)18(20,21)22;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-7-31(28,29)8-4-26)25-17(24-14)27-1-5-30-6-2-27;/h11-13,15,19H,1-10,14H2,(H2,28,29)(H,30,35);9-11,13,17H,3-8,12H2,1-2H3,(H2,26,27)(H,28,33);8-10,12H,2-7,11H2,1H3,(H2,23,24);7-9,11H,1-6,10H2,(H2,23,24);9-11H,1-8H2,(H2,22,23);1H4/t;;12-;11-;;/m..00../s1
InChIKeyNRUTYCNWTRBYER-OPLSRYOPSA-N
MW2344.38 g/mol
LogP9.76
Rot. Bonds19

About 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 159866650) has the molecular formula C102H126F16N32O13S and a molecular weight of 2344.38 g/mol. Its IUPAC name is 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID159866650
Molecular FormulaC102H126F16N32O13S
Molecular Weight2344.38 g/mol
Exact Mass2342.96
IUPAC Name4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESC.CC(C)NC(=O)C1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.C[C@H]1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(C(=O)NC4CCOCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCS(=O)(=O)CC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CC[C@H](F)C3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H30F3N7O4.C22H28F3N7O3.C19H23F3N6O2.C18H20F4N6O.C18H21F3N6O3S.CH4/c25-24(26,27)17-11-20(28)29-13-16(17)18-12-21(32-23(31-18)33-3-8-37-9-4-33)34-5-10-38-19(14-34)22(35)30-15-1-6-36-7-2-15;1-13(2)28-20(33)17-12-32(5-8-35-17)19-10-16(29-21(30-19)31-3-6-34-7-4-31)14-11-27-18(26)9-15(14)22(23,24)25;1-12-11-28(4-7-30-12)17-9-15(25-18(26-17)27-2-5-29-6-3-27)13-10-24-16(23)8-14(13)19(20,21)22;19-11-1-2-28(10-11)16-8-14(25-17(26-16)27-3-5-29-6-4-27)12-9-24-15(23)7-13(12)18(20,21)22;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-7-31(28,29)8-4-26)25-17(24-14)27-1-5-30-6-2-27;/h11-13,15,19H,1-10,14H2,(H2,28,29)(H,30,35);9-11,13,17H,3-8,12H2,1-2H3,(H2,26,27)(H,28,33);8-10,12H,2-7,11H2,1H3,(H2,23,24);7-9,11H,1-6,10H2,(H2,23,24);9-11H,1-8H2,(H2,22,23);1H4/t;;12-;11-;;/m..00../s1
InChIKeyNRUTYCNWTRBYER-OPLSRYOPSA-N
XLogP9.76
TPSA531.26 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds19
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002344.38
LogP ≤ 59.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

4-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide
CID 59507827
ethane;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-3-ylpyrimidin-4-amine;N-(4-methyl-2-pyridinyl)-2-morpholin-4-yl-6-piperidin-4-ylpyrimidin-4-amine;1-[3-[2-morpholin-4-yl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 144740205
N,N-dimethyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;N-methyl-5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3R)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 158769749
5-[6-(2-methyl-1-methylsulfonylpropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopentyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclohexyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-(1-methylsulfonylcyclopentyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159159859
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylmorpholine-2-carboxamide;[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-4-ol;1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-4-one
CID 159503480
(2S)-2-methoxy-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]propanamide;2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]acetamide;(2S)-2-methoxy-N-[(2R)-2-[(4-propan-2-ylpyrimidin-2-yl)amino]propyl]propanamide;N-(1-methylsulfonylpyrrolidin-3-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]methanesulfonamide;1-[3-[(4-propan-2-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone;4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;2,2,2-trifluoro-N-[(2R)-1-[(4-propan-2-ylpyrimidin-2-yl)amino]propan-2-yl]acetamide
CID 159741839
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-morpholin-4-ylsulfonylphenyl)pyrimidin-4-amine;2-[3-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]sulfonylethanol;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]morpholine-2-carboxamide;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-N-(oxan-4-yl)pyrimidin-4-amine;5-[2-morpholin-4-yl-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159935756
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
1-[(2R)-2-[1-[4-[(2R)-1,1-dioxothian-2-yl]piperidin-1-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-2,7-naphthyridin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166465431
1-[2-[1-[3-(4,4-dioxo-1,4-oxathian-3-yl)-2-methylazetidin-1-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-2,7-naphthyridin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166465486
1-[2-[7-[[2-[(3S,4R)-3-fluoro-4-(3-morpholin-4-ylpropoxy)piperidin-1-yl]pyrimidin-4-yl]amino]-4-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-2,6-naphthyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166465568
1-[2-[7-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-4-[3-[4-(oxan-4-yl)-1,1-dioxo-1,4-thiazinan-2-yl]azetidin-1-yl]-2,6-naphthyridin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166465632

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 159866650) is 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is C.CC(C)NC(=O)C1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.C[C@H]1CN(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CCO1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOC(C(=O)NC4CCOCC4)C3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CCS(=O)(=O)CC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(N3CC[C@H](F)C3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NRUTYCNWTRBYER-OPLSRYOPSA-N. The full InChI is InChI=1S/C24H30F3N7O4.C22H28F3N7O3.C19H23F3N6O2.C18H20F4N6O.C18H21F3N6O3S.CH4/c25-24(26,27)17-11-20(28)29-13-16(17)18-12-21(32-23(31-18)33-3-8-37-9-4-33)34-5-10-38-19(14-34)22(35)30-15-1-6-36-7-2-15;1-13(2)28-20(33)17-12-32(5-8-35-17)19-10-16(29-21(30-19)31-3-6-34-7-4-31)14-11-27-18(26)9-15(14)22(23,24)25;1-12-11-28(4-7-30-12)17-9-15(25-18(26-17)27-2-5-29-6-3-27)13-10-24-16(23)8-14(13)19(20,21)22;19-11-1-2-28(10-11)16-8-14(25-17(26-16)27-3-5-29-6-4-27)12-9-24-15(23)7-13(12)18(20,21)22;19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-3-7-31(28,29)8-4-26)25-17(24-14)27-1-5-30-6-2-27;/h11-13,15,19H,1-10,14H2,(H2,28,29)(H,30,35);9-11,13,17H,3-8,12H2,1-2H3,(H2,26,27)(H,28,33);8-10,12H,2-7,11H2,1H3,(H2,23,24);7-9,11H,1-6,10H2,(H2,23,24);9-11H,1-8H2,(H2,22,23);1H4/t;;12-;11-;;/m..00../s1.
What are the key properties of 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2344.38 g/mol, XLogP of 9.76, 19 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-(oxan-4-yl)morpholine-2-carboxamide;4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-propan-2-ylmorpholine-2-carboxamide;5-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;methane;5-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159866650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).