N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone

C117H118N22O10S5 — CID 158066869

IUPACN-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone
SMILESCC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N(C)Cc4ccccc4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccccc4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccncc4)cs3)n2)c1.CCN1CCN(C(=O)c2csc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)c2)CC1
InChIInChI=1S/C25H24N4O2S.C24H22N4O2S.C23H21N5O2S.C23H27N5O2S.C22H24N4O2S/c1-17(30)19-9-6-10-21(13-19)27-25-26-12-11-22(28-25)23-14-20(16-32-23)24(31)29(2)15-18-7-4-3-5-8-18;1-16(29)18-8-5-9-20(12-18)27-24-25-11-10-21(28-24)22-13-19(15-31-22)23(30)26-14-17-6-3-2-4-7-17;1-15(29)17-3-2-4-19(11-17)27-23-25-10-7-20(28-23)21-12-18(14-31-21)22(30)26-13-16-5-8-24-9-6-16;1-3-27-9-11-28(12-10-27)22(30)18-14-21(31-15-18)20-7-8-24-23(26-20)25-19-6-4-5-17(13-19)16(2)29;1-15(27)16-6-5-7-18(12-16)24-22-23-9-8-19(25-22)20-13-17(14-29-20)21(28)26-10-3-2-4-11-26/h3-14,16-17,30H,15H2,1-2H3,(H,26,27,28);2-13,15-16,29H,14H2,1H3,(H,26,30)(H,25,27,28);2-12,14-15,29H,13H2,1H3,(H,26,30)(H,25,27,28);4-8,13-16,29H,3,9-12H2,1-2H3,(H,24,25,26);5-9,12-15,27H,2-4,10-11H2,1H3,(H,23,24,25)
InChIKeyFLIKACTZHKUOAC-UHFFFAOYSA-N
MW2152.71 g/mol
LogP22.94
Rot. Bonds32

About N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone

N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone (PubChem CID 158066869) has the molecular formula C117H118N22O10S5 and a molecular weight of 2152.71 g/mol. Its IUPAC name is N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound NameN-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone
PubChem CID158066869
Molecular FormulaC117H118N22O10S5
Molecular Weight2152.71 g/mol
Exact Mass2150.80
IUPAC NameN-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone
SMILESCC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N(C)Cc4ccccc4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccccc4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccncc4)cs3)n2)c1.CCN1CCN(C(=O)c2csc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)c2)CC1
InChIInChI=1S/C25H24N4O2S.C24H22N4O2S.C23H21N5O2S.C23H27N5O2S.C22H24N4O2S/c1-17(30)19-9-6-10-21(13-19)27-25-26-12-11-22(28-25)23-14-20(16-32-23)24(31)29(2)15-18-7-4-3-5-8-18;1-16(29)18-8-5-9-20(12-18)27-24-25-11-10-21(28-24)22-13-19(15-31-22)23(30)26-14-17-6-3-2-4-7-17;1-15(29)17-3-2-4-19(11-17)27-23-25-10-7-20(28-23)21-12-18(14-31-21)22(30)26-13-16-5-8-24-9-6-16;1-3-27-9-11-28(12-10-27)22(30)18-14-21(31-15-18)20-7-8-24-23(26-20)25-19-6-4-5-17(13-19)16(2)29;1-15(27)16-6-5-7-18(12-16)24-22-23-9-8-19(25-22)20-13-17(14-29-20)21(28)26-10-3-2-4-11-26/h3-14,16-17,30H,15H2,1-2H3,(H,26,27,28);2-13,15-16,29H,14H2,1H3,(H,26,30)(H,25,27,28);2-12,14-15,29H,13H2,1H3,(H,26,30)(H,25,27,28);4-8,13-16,29H,3,9-12H2,1-2H3,(H,24,25,26);5-9,12-15,27H,2-4,10-11H2,1H3,(H,23,24,25)
InChIKeyFLIKACTZHKUOAC-UHFFFAOYSA-N
XLogP22.94
TPSA425.46 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002152.71
LogP ≤ 522.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide;methyl 3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoate;3-[[[5-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]thiophene-2-carbonyl]amino]methyl]benzoic acid;5-[2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 159541509
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide
CID 16666699
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone
CID 59468376
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 59468430
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide
CID 59468479
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 59468482
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 59468544
(4-Ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone
CID 59468602
N-[(4-ethylpiperazin-1-yl)methyl]-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide
CID 59607359
5-[[6-[4-[[5-[[6-[5-[[hydroxy-[5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-pyridinyl]-4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-1,2-thiazole-3-carbonyl]amino]phenyl]-4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3-carboxamide
CID 135128239
1-[3-[[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 157202858
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methoxy-N-methylthiophene-2-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxylic acid;1-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 157232108

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone (CID 158066869) is N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone is CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N(C)Cc4ccccc4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCCCC4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccccc4)cs3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)NCc4ccncc4)cs3)n2)c1.CCN1CCN(C(=O)c2csc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)c2)CC1.
What is the InChIKey of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone?
The InChIKey is FLIKACTZHKUOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S.C24H22N4O2S.C23H21N5O2S.C23H27N5O2S.C22H24N4O2S/c1-17(30)19-9-6-10-21(13-19)27-25-26-12-11-22(28-25)23-14-20(16-32-23)24(31)29(2)15-18-7-4-3-5-8-18;1-16(29)18-8-5-9-20(12-18)27-24-25-11-10-21(28-24)22-13-19(15-31-22)23(30)26-14-17-6-3-2-4-7-17;1-15(29)17-3-2-4-19(11-17)27-23-25-10-7-20(28-23)21-12-18(14-31-21)22(30)26-13-16-5-8-24-9-6-16;1-3-27-9-11-28(12-10-27)22(30)18-14-21(31-15-18)20-7-8-24-23(26-20)25-19-6-4-5-17(13-19)16(2)29;1-15(27)16-6-5-7-18(12-16)24-22-23-9-8-19(25-22)20-13-17(14-29-20)21(28)26-10-3-2-4-11-26/h3-14,16-17,30H,15H2,1-2H3,(H,26,27,28);2-13,15-16,29H,14H2,1H3,(H,26,30)(H,25,27,28);2-12,14-15,29H,13H2,1H3,(H,26,30)(H,25,27,28);4-8,13-16,29H,3,9-12H2,1-2H3,(H,24,25,26);5-9,12-15,27H,2-4,10-11H2,1H3,(H,23,24,25).
What are the key properties of N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone?
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone has a molecular weight of 2152.71 g/mol, XLogP of 22.94, 32 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;(4-ethylpiperazin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]methanone;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 158066869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).