4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine

C102H119F3N44O5S — CID 157444572

IUPAC4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCC(C)(O)Cn1cc(Nc2ncnc(N3CCN(c4ncc(C(C)(C)c5ccc(F)cc5)cn4)CC3)n2)cn1.Fc1ccc(Nc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.Fc1ccc(Oc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Sc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1
InChIInChI=1S/C27H33FN10O.C25H29FN12O.C25H28FN11O2.C25H29N11OS/c1-26(2,39)17-38-16-22(15-33-38)34-23-31-18-32-25(35-23)37-11-9-36(10-12-37)24-29-13-20(14-30-24)27(3,4)19-5-7-21(28)8-6-19;26-18-1-3-19(4-2-18)33-20-11-28-24(29-12-20)36-6-8-37(9-7-36)25-31-17-30-23(35-25)34-21-13-32-38(15-21)16-22-14-27-5-10-39-22;26-18-1-3-20(4-2-18)39-21-13-28-24(29-14-21)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-22-12-27-5-10-38-22;1-2-4-21(5-3-1)38-22-14-27-24(28-15-22)34-7-9-35(10-8-34)25-30-18-29-23(33-25)32-19-12-31-36(16-19)17-20-13-26-6-11-37-20/h5-8,13-16,18,39H,9-12,17H2,1-4H3,(H,31,32,34,35);1-4,11-13,15,17,22,27,33H,5-10,14,16H2,(H,30,31,34,35);1-4,11,13-15,17,22,27H,5-10,12,16H2,(H,30,31,33,34);1-5,12,14-16,18,20,26H,6-11,13,17H2,(H,29,30,32,33)/t;2*22-;20-/m.000/s1
InChIKeyBSBKKWPAQFCNQK-XKHXQVLASA-N
MW2130.44 g/mol
LogP8.88
Rot. Bonds32

About 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine

4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 157444572) has the molecular formula C102H119F3N44O5S and a molecular weight of 2130.44 g/mol. Its IUPAC name is 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine
PubChem CID157444572
Molecular FormulaC102H119F3N44O5S
Molecular Weight2130.44 g/mol
Exact Mass2129.01
IUPAC Name4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine
SMILESCC(C)(O)Cn1cc(Nc2ncnc(N3CCN(c4ncc(C(C)(C)c5ccc(F)cc5)cn4)CC3)n2)cn1.Fc1ccc(Nc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.Fc1ccc(Oc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Sc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1
InChIInChI=1S/C27H33FN10O.C25H29FN12O.C25H28FN11O2.C25H29N11OS/c1-26(2,39)17-38-16-22(15-33-38)34-23-31-18-32-25(35-23)37-11-9-36(10-12-37)24-29-13-20(14-30-24)27(3,4)19-5-7-21(28)8-6-19;26-18-1-3-19(4-2-18)33-20-11-28-24(29-12-20)36-6-8-37(9-7-36)25-31-17-30-23(35-25)34-21-13-32-38(15-21)16-22-14-27-5-10-39-22;26-18-1-3-20(4-2-18)39-21-13-28-24(29-14-21)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-22-12-27-5-10-38-22;1-2-4-21(5-3-1)38-22-14-27-24(28-15-22)34-7-9-35(10-8-34)25-30-18-29-23(33-25)32-19-12-31-36(16-19)17-20-13-26-6-11-37-20/h5-8,13-16,18,39H,9-12,17H2,1-4H3,(H,31,32,34,35);1-4,11-13,15,17,22,27,33H,5-10,14,16H2,(H,30,31,34,35);1-4,11,13-15,17,22,27H,5-10,12,16H2,(H,30,31,33,34);1-5,12,14-16,18,20,26H,6-11,13,17H2,(H,29,30,32,33)/t;2*22-;20-/m.000/s1
InChIKeyBSBKKWPAQFCNQK-XKHXQVLASA-N
XLogP8.88
TPSA508.39 Ų
H-Bond Donors9
H-Bond Acceptors50
Rotatable Bonds32
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.44
LogP ≤ 58.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1050

Analyze 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-[(4-fluorophenoxy)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 158224468
3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
CID 157184440
4-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]benzonitrile;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;(R)-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-phenylmethanamine
CID 157390688
6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[(2-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158204567
4-[4-(4-amino-5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1,3,5-triazin-2-amine;4-[4-(4-amino-5-benzylpyrimidin-2-yl)piperazin-1-yl]-N-[4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1,3,5-triazin-2-amine;(2S)-3-[4-[[4-[(3R)-4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]-3-methylpiperazin-1-yl]-1,3,5-triazin-2-yl]amino]-5-methylpyrazol-1-yl]propane-1,2-diol
CID 158275731
3-[1-[2,3-Difluoro-4-[4-(methylamino)butoxy]phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-[4-(methylamino)butoxy]phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine;3-[1-[2,3-difluoro-4-[4-(methylamino)cyclohexyl]oxyphenyl]tetrazol-5-yl]-5-(1-methylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[4-(dimethylamino)butoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[4-(dimethylamino)butoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
CID 158633827
5-(cyclopropylmethoxy)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(3,3-dimethylbutyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]sulfanyl]aniline;5-(4-fluorophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-propyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]butan-1-ol
CID 158728570
1-[4-[[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide;4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-N-[4-(oxan-2-yl)phenyl]-1,3,5-triazin-2-amine;4-[4-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[2-[4-[4-[[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol
CID 159272056
4-[4-[5-(2-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(3-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;(2S)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol;(2R)-1-[4-[[4-[4-[5-(2-fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]anilino]propan-2-ol
CID 159324465
dibutyl-[10-(3-imidazol-3-id-2-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-id-2-yl]-pyridin-2-ylgermane;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-10-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]-1H-phenoxazin-1-ide;tetrakis(gold(3+));[5-methyl-10-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]-1H-phenazin-1-id-2-yl]-phenyl-pyridin-2-ylgermane;10-[3-(5-methylpyrazol-2-id-3-yl)benzene-2-id-1-yl]-2-(1-pyridin-2-ylgerminan-1-yl)-1H-phenothiazin-1-ide
CID 160310093
N-(1-cyclohexylpyrazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-amine;2-[4-[4-[[7-(4-fluoro-2-methoxyphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanol
CID 161821057

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine (CID 157444572) is 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine is CC(C)(O)Cn1cc(Nc2ncnc(N3CCN(c4ncc(C(C)(C)c5ccc(F)cc5)cn4)CC3)n2)cn1.Fc1ccc(Nc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.Fc1ccc(Oc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.c1ccc(Sc2cnc(N3CCN(c4ncnc(Nc5cnn(C[C@@H]6CNCCO6)c5)n4)CC3)nc2)cc1.
What is the InChIKey of 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is BSBKKWPAQFCNQK-XKHXQVLASA-N. The full InChI is InChI=1S/C27H33FN10O.C25H29FN12O.C25H28FN11O2.C25H29N11OS/c1-26(2,39)17-38-16-22(15-33-38)34-23-31-18-32-25(35-23)37-11-9-36(10-12-37)24-29-13-20(14-30-24)27(3,4)19-5-7-21(28)8-6-19;26-18-1-3-19(4-2-18)33-20-11-28-24(29-12-20)36-6-8-37(9-7-36)25-31-17-30-23(35-25)34-21-13-32-38(15-21)16-22-14-27-5-10-39-22;26-18-1-3-20(4-2-18)39-21-13-28-24(29-14-21)35-6-8-36(9-7-35)25-31-17-30-23(34-25)33-19-11-32-37(15-19)16-22-12-27-5-10-38-22;1-2-4-21(5-3-1)38-22-14-27-24(28-15-22)34-7-9-35(10-8-34)25-30-18-29-23(33-25)32-19-12-31-36(16-19)17-20-13-26-6-11-37-20/h5-8,13-16,18,39H,9-12,17H2,1-4H3,(H,31,32,34,35);1-4,11-13,15,17,22,27,33H,5-10,14,16H2,(H,30,31,34,35);1-4,11,13-15,17,22,27H,5-10,12,16H2,(H,30,31,33,34);1-5,12,14-16,18,20,26H,6-11,13,17H2,(H,29,30,32,33)/t;2*22-;20-/m.000/s1.
What are the key properties of 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine?
4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 2130.44 g/mol, XLogP of 8.88, 32 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluoroanilino)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;4-[4-[5-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine;1-[4-[[4-[4-[5-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol;N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-4-[4-(5-phenylsulfanylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 157444572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).