6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C112H116F15N33O14S2 — CID 160587299

IUPAC6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(CN4CCCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(S(=O)(=O)CCO)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOC4)nc3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOCC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H26F3N7O3.C24H26F3N7O.C23H24F3N7O3.C21H21F3N6O4S.C20H19F3N6O3S/c25-24(26,27)18-11-20(28)29-14-17(18)19-12-21(33-23(32-19)34-5-9-36-10-6-34)31-15-1-2-22(30-13-15)37-16-3-7-35-8-4-16;25-24(26,27)19-10-22(28)30-14-18(19)21-11-20(31-23(32-21)34-5-7-35-8-6-34)17-9-16(12-29-13-17)15-33-3-1-2-4-33;24-23(25,26)17-9-19(27)28-12-16(17)18-10-20(32-22(31-18)33-4-7-34-8-5-33)30-14-1-2-21(29-11-14)36-15-3-6-35-13-15;22-21(23,24)16-8-19(25)27-12-15(16)18-9-17(28-20(29-18)30-1-4-34-5-2-30)13-7-14(11-26-10-13)35(32,33)6-3-31;1-33(30,31)13-6-12(9-25-10-13)16-8-17(28-19(27-16)29-2-4-32-5-3-29)14-11-26-18(24)7-15(14)20(21,22)23/h1-2,11-14,16H,3-10H2,(H2,28,29)(H,31,32,33);9-14H,1-8,15H2,(H2,28,30);1-2,9-12,15H,3-8,13H2,(H2,27,28)(H,30,31,32);7-12,31H,1-6H2,(H2,25,27);6-11H,2-5H2,1H3,(H2,24,26)
InChIKeyRCOFFCMKILYSGW-UHFFFAOYSA-N
MW2497.48 g/mol
LogP14.84
Rot. Bonds27

About 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 160587299) has the molecular formula C112H116F15N33O14S2 and a molecular weight of 2497.48 g/mol. Its IUPAC name is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID160587299
Molecular FormulaC112H116F15N33O14S2
Molecular Weight2497.48 g/mol
Exact Mass2495.86
IUPAC Name6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(CN4CCCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(S(=O)(=O)CCO)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOC4)nc3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOCC4)nc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C24H26F3N7O3.C24H26F3N7O.C23H24F3N7O3.C21H21F3N6O4S.C20H19F3N6O3S/c25-24(26,27)18-11-20(28)29-14-17(18)19-12-21(33-23(32-19)34-5-9-36-10-6-34)31-15-1-2-22(30-13-15)37-16-3-7-35-8-4-16;25-24(26,27)19-10-22(28)30-14-18(19)21-11-20(31-23(32-21)34-5-7-35-8-6-34)17-9-16(12-29-13-17)15-33-3-1-2-4-33;24-23(25,26)17-9-19(27)28-12-16(17)18-10-20(32-22(31-18)33-4-7-34-8-5-33)30-14-1-2-21(29-11-14)36-15-3-6-35-13-15;22-21(23,24)16-8-19(25)27-12-15(16)18-9-17(28-20(29-18)30-1-4-34-5-2-30)13-7-14(11-26-10-13)35(32,33)6-3-31;1-33(30,31)13-6-12(9-25-10-13)16-8-17(28-19(27-16)29-2-4-32-5-3-29)14-11-26-18(24)7-15(14)20(21,22)23/h1-2,11-14,16H,3-10H2,(H2,28,29)(H,31,32,33);9-14H,1-8,15H2,(H2,28,30);1-2,9-12,15H,3-8,13H2,(H2,27,28)(H,30,31,32);7-12,31H,1-6H2,(H2,25,27);6-11H,2-5H2,1H3,(H2,24,26)
InChIKeyRCOFFCMKILYSGW-UHFFFAOYSA-N
XLogP14.84
TPSA602.98 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds27
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002497.48
LogP ≤ 514.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(2-methylsulfonyl-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(4-methylsulfonyl-2-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-3-pyridinyl]pyrimidin-4-amine;bis(5-[6-(3-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine)
CID 157073805
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(6-piperidin-4-yloxy-3-pyridinyl)pyrimidin-4-amine;2-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile;N-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]methanesulfonamide;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrimidin-4-amine;6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 157621934
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-(2-propan-2-yloxy-3-pyridinyl)pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidine-4-carbonitrile;5-[6-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 157776571
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-N-[3-methoxy-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-2-morpholin-4-ylpyrimidin-4-amine;N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine;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-phenyl-1,3-thiazol-2-amine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 158695095
6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine;4-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-[2-(sulfinatoamino)-3-pyridinyl]pyrimidin-2-yl]morpholine;methane;methyl 4-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate;5-[6-(1-methylsulfonylpiperidin-4-yl)oxy-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine;5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 158951098
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 159777886
4-[4-[3-[(6-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575772
N-[3-[2-[[6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-propan-2-yloxy-3-pyridinyl]amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 142729823

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 160587299) is 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)c1cncc(-c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1.Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(CN4CCCC4)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(-c3cncc(S(=O)(=O)CCO)c3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOC4)nc3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(Nc3ccc(OC4CCOCC4)nc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RCOFFCMKILYSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O3.C24H26F3N7O.C23H24F3N7O3.C21H21F3N6O4S.C20H19F3N6O3S/c25-24(26,27)18-11-20(28)29-14-17(18)19-12-21(33-23(32-19)34-5-9-36-10-6-34)31-15-1-2-22(30-13-15)37-16-3-7-35-8-4-16;25-24(26,27)19-10-22(28)30-14-18(19)21-11-20(31-23(32-21)34-5-7-35-8-6-34)17-9-16(12-29-13-17)15-33-3-1-2-4-33;24-23(25,26)17-9-19(27)28-12-16(17)18-10-20(32-22(31-18)33-4-7-34-8-5-33)30-14-1-2-21(29-11-14)36-15-3-6-35-13-15;22-21(23,24)16-8-19(25)27-12-15(16)18-9-17(28-20(29-18)30-1-4-34-5-2-30)13-7-14(11-26-10-13)35(32,33)6-3-31;1-33(30,31)13-6-12(9-25-10-13)16-8-17(28-19(27-16)29-2-4-32-5-3-29)14-11-26-18(24)7-15(14)20(21,22)23/h1-2,11-14,16H,3-10H2,(H2,28,29)(H,31,32,33);9-14H,1-8,15H2,(H2,28,30);1-2,9-12,15H,3-8,13H2,(H2,27,28)(H,30,31,32);7-12,31H,1-6H2,(H2,25,27);6-11H,2-5H2,1H3,(H2,24,26).
What are the key properties of 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 2497.48 g/mol, XLogP of 14.84, 27 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxan-4-yloxy)-3-pyridinyl]pyrimidin-4-amine;6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-yl-N-[6-(oxolan-3-yloxy)-3-pyridinyl]pyrimidin-4-amine;2-[[5-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-3-pyridinyl]sulfonyl]ethanol;5-[6-(5-methylsulfonyl-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[2-morpholin-4-yl-6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 160587299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).