cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one

C133H164FN29O15S4 — CID 157442780

IUPACcis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one
SMILESC=CC(=O)Cc1cc(C)ccc1Nc1nc(NC2CCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@@H]2CCCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@@H]2CCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@H]2CCCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1ccccc1Nc1nc(NC2CCC(F)CC2)ncc1C.C=CC(=O)Cc1ccccc1Nc1nc(N[C@H]2CCC[C@@H](C(N)=O)C2)ncc1C
InChIInChI=1S/2C23H29N5O3S.2C22H27N5O3S.C22H27N5O2.C21H25FN4O/c2*1-5-20(29)13-18-12-16(3)9-10-21(18)26-22-17(4)14-24-23(27-22)25-19-8-7-11-28(15-19)32(30,31)6-2;2*1-5-19(28)12-17-11-15(3)7-8-20(17)25-21-16(4)13-23-22(26-21)24-18-9-10-27(14-18)31(29,30)6-2;1-3-18(28)12-15-7-4-5-10-19(15)26-21-14(2)13-24-22(27-21)25-17-9-6-8-16(11-17)20(23)29;1-3-18(27)12-15-6-4-5-7-19(15)25-20-14(2)13-23-21(26-20)24-17-10-8-16(22)9-11-17/h2*5-6,9-10,12,14,19H,1-2,7-8,11,13,15H2,3-4H3,(H2,24,25,26,27);2*5-8,11,13,18H,1-2,9-10,12,14H2,3-4H3,(H2,23,24,25,26);3-5,7,10,13,16-17H,1,6,8-9,11-12H2,2H3,(H2,23,29)(H2,24,25,26,27);3-7,13,16-17H,1,8-12H2,2H3,(H2,23,24,25,26)/t2*19-;18-;;16-,17+;/m101.1./s1
InChIKeyBRWBXEDIGXDKAB-XTOPUQJISA-N
MW2556.23 g/mol
LogP20.96
Rot. Bonds51

About cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one

cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one (PubChem CID 157442780) has the molecular formula C133H164FN29O15S4 and a molecular weight of 2556.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one
PubChem CID157442780
Molecular FormulaC133H164FN29O15S4
Molecular Weight2556.23 g/mol
Exact Mass2554.18
IUPAC Namecis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one
SMILESC=CC(=O)Cc1cc(C)ccc1Nc1nc(NC2CCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@@H]2CCCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@@H]2CCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@H]2CCCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1ccccc1Nc1nc(NC2CCC(F)CC2)ncc1C.C=CC(=O)Cc1ccccc1Nc1nc(N[C@H]2CCC[C@@H](C(N)=O)C2)ncc1C
InChIInChI=1S/2C23H29N5O3S.2C22H27N5O3S.C22H27N5O2.C21H25FN4O/c2*1-5-20(29)13-18-12-16(3)9-10-21(18)26-22-17(4)14-24-23(27-22)25-19-8-7-11-28(15-19)32(30,31)6-2;2*1-5-19(28)12-17-11-15(3)7-8-20(17)25-21-16(4)13-23-22(26-21)24-18-9-10-27(14-18)31(29,30)6-2;1-3-18(28)12-15-7-4-5-10-19(15)26-21-14(2)13-24-22(27-21)25-17-9-6-8-16(11-17)20(23)29;1-3-18(27)12-15-6-4-5-7-19(15)25-20-14(2)13-23-21(26-20)24-17-10-8-16(22)9-11-17/h2*5-6,9-10,12,14,19H,1-2,7-8,11,13,15H2,3-4H3,(H2,24,25,26,27);2*5-8,11,13,18H,1-2,9-10,12,14H2,3-4H3,(H2,23,24,25,26);3-5,7,10,13,16-17H,1,6,8-9,11-12H2,2H3,(H2,23,29)(H2,24,25,26,27);3-7,13,16-17H,1,8-12H2,2H3,(H2,23,24,25,26)/t2*19-;18-;;16-,17+;/m101.1./s1
InChIKeyBRWBXEDIGXDKAB-XTOPUQJISA-N
XLogP20.96
TPSA594.07 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds51
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002556.23
LogP ≤ 520.96
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one?
The IUPAC name of cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one (CID 157442780) is cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one.
What is the SMILES notation for cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one?
The canonical SMILES for cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one is C=CC(=O)Cc1cc(C)ccc1Nc1nc(NC2CCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@@H]2CCCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@@H]2CCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1cc(C)ccc1Nc1nc(N[C@H]2CCCN(S(=O)(=O)C=C)C2)ncc1C.C=CC(=O)Cc1ccccc1Nc1nc(NC2CCC(F)CC2)ncc1C.C=CC(=O)Cc1ccccc1Nc1nc(N[C@H]2CCC[C@@H](C(N)=O)C2)ncc1C.
What is the InChIKey of cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one?
The InChIKey is BRWBXEDIGXDKAB-XTOPUQJISA-N. The full InChI is InChI=1S/2C23H29N5O3S.2C22H27N5O3S.C22H27N5O2.C21H25FN4O/c2*1-5-20(29)13-18-12-16(3)9-10-21(18)26-22-17(4)14-24-23(27-22)25-19-8-7-11-28(15-19)32(30,31)6-2;2*1-5-19(28)12-17-11-15(3)7-8-20(17)25-21-16(4)13-23-22(26-21)24-18-9-10-27(14-18)31(29,30)6-2;1-3-18(28)12-15-7-4-5-10-19(15)26-21-14(2)13-24-22(27-21)25-17-9-6-8-16(11-17)20(23)29;1-3-18(27)12-15-6-4-5-7-19(15)25-20-14(2)13-23-21(26-20)24-17-10-8-16(22)9-11-17/h2*5-6,9-10,12,14,19H,1-2,7-8,11,13,15H2,3-4H3,(H2,24,25,26,27);2*5-8,11,13,18H,1-2,9-10,12,14H2,3-4H3,(H2,23,24,25,26);3-5,7,10,13,16-17H,1,6,8-9,11-12H2,2H3,(H2,23,29)(H2,24,25,26,27);3-7,13,16-17H,1,8-12H2,2H3,(H2,23,24,25,26)/t2*19-;18-;;16-,17+;/m101.1./s1.
What are the key properties of cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one?
cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one has a molecular weight of 2556.23 g/mol, XLogP of 20.96, 51 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[5-methyl-4-[2-(2-oxobut-3-enyl)anilino]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide;1-[2-[[2-[[(3R)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3S)-1-ethenylsulfonylpiperidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(1-ethenylsulfonylpyrrolidin-3-yl)amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[[(3R)-1-ethenylsulfonylpyrrolidin-3-yl]amino]-5-methylpyrimidin-4-yl]amino]-5-methylphenyl]but-3-en-2-one;1-[2-[[2-[(4-fluorocyclohexyl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]but-3-en-2-one is sourced from PubChem (CID 157442780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).