N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone

C99H106N20O11S5 — CID 159601765

IUPACN,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)NC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCOCC4)cs3)n2)c1.CCN(CC)C(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CCNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1
InChIInChI=1S/C21H22N4O3S.C21H24N4O2S.C20H22N4O2S.C19H20N4O2S.C18H18N4O2S/c1-14(26)15-3-2-4-17(11-15)23-21-22-6-5-18(24-21)19-12-16(13-29-19)20(27)25-7-9-28-10-8-25;1-4-25(5-2)20(27)16-12-19(28-13-16)18-9-10-22-21(24-18)23-17-8-6-7-15(11-17)14(3)26;1-12(2)22-19(26)15-10-18(27-11-15)17-7-8-21-20(24-17)23-16-6-4-5-14(9-16)13(3)25;1-3-20-18(25)14-10-17(26-11-14)16-7-8-21-19(23-16)22-15-6-4-5-13(9-15)12(2)24;1-11(23)12-4-3-5-14(8-12)21-18-20-7-6-15(22-18)16-9-13(10-25-16)17(24)19-2/h2-6,11-14,26H,7-10H2,1H3,(H,22,23,24);6-14,26H,4-5H2,1-3H3,(H,22,23,24);4-13,25H,1-3H3,(H,22,26)(H,21,23,24);4-12,24H,3H2,1-2H3,(H,20,25)(H,21,22,23);3-11,23H,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyMLOKDHWEHRRHOH-UHFFFAOYSA-N
MW1912.40 g/mol
LogP19.21
Rot. Bonds29

About N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone

N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone (PubChem CID 159601765) has the molecular formula C99H106N20O11S5 and a molecular weight of 1912.40 g/mol. Its IUPAC name is N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound NameN,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone
PubChem CID159601765
Molecular FormulaC99H106N20O11S5
Molecular Weight1912.40 g/mol
Exact Mass1910.70
IUPAC NameN,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)NC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCOCC4)cs3)n2)c1.CCN(CC)C(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CCNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1
InChIInChI=1S/C21H22N4O3S.C21H24N4O2S.C20H22N4O2S.C19H20N4O2S.C18H18N4O2S/c1-14(26)15-3-2-4-17(11-15)23-21-22-6-5-18(24-21)19-12-16(13-29-19)20(27)25-7-9-28-10-8-25;1-4-25(5-2)20(27)16-12-19(28-13-16)18-9-10-22-21(24-18)23-17-8-6-7-15(11-17)14(3)26;1-12(2)22-19(26)15-10-18(27-11-15)17-7-8-21-20(24-17)23-16-6-4-5-14(9-16)13(3)25;1-3-20-18(25)14-10-17(26-11-14)16-7-8-21-19(23-16)22-15-6-4-5-13(9-15)12(2)24;1-11(23)12-4-3-5-14(8-12)21-18-20-7-6-15(22-18)16-9-13(10-25-16)17(24)19-2/h2-6,11-14,26H,7-10H2,1H3,(H,22,23,24);6-14,26H,4-5H2,1-3H3,(H,22,23,24);4-13,25H,1-3H3,(H,22,26)(H,21,23,24);4-12,24H,3H2,1-2H3,(H,20,25)(H,21,22,23);3-11,23H,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyMLOKDHWEHRRHOH-UHFFFAOYSA-N
XLogP19.21
TPSA427.35 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001912.40
LogP ≤ 519.21
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

CID 157777903
CID 157777903
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
[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone
CID 59468422
5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 59468430
[4-[5-[2-[3-(1-Hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]phenyl]-morpholin-4-ylmethanone
CID 59468477
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
2-(5-acetylthiophen-2-yl)acetic acid;[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetate;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid;2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-N-methyl-N-phenylacetamide;1-[5-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methyl]thiophen-2-yl]ethanone
CID 157284490
N-(4-hydroxybutyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[3-(hydroxymethyl)phenyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-(1H-indol-6-ylmethyl)-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide;N-[[3-(methanesulfonamido)phenyl]methyl]-5-[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]thiophene-2-carboxamide
CID 157288494
[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-[3-[[4-[5-(2,6-dimethylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]methanone;1-[3-[[4-[5-(2-phenylphenyl)thiophen-2-yl]pyrimidin-2-yl]amino]phenyl]ethanol
CID 157420856
1,3-Dihydroisoindol-2-yl-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]methanone;(5-ethyl-2-methylpiperidin-1-yl)-[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]methanone;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 157434599
N-benzyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;N-[(4-ethylpiperazin-1-yl)methyl]-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 157437469

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone (CID 159601765) is N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone is CC(C)NC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CC(O)c1cccc(Nc2nccc(-c3cc(C(=O)N4CCOCC4)cs3)n2)c1.CCN(CC)C(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CCNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.CNC(=O)c1csc(-c2ccnc(Nc3cccc(C(C)O)c3)n2)c1.
What is the InChIKey of N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone?
The InChIKey is MLOKDHWEHRRHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.C21H24N4O2S.C20H22N4O2S.C19H20N4O2S.C18H18N4O2S/c1-14(26)15-3-2-4-17(11-15)23-21-22-6-5-18(24-21)19-12-16(13-29-19)20(27)25-7-9-28-10-8-25;1-4-25(5-2)20(27)16-12-19(28-13-16)18-9-10-22-21(24-18)23-17-8-6-7-15(11-17)14(3)26;1-12(2)22-19(26)15-10-18(27-11-15)17-7-8-21-20(24-17)23-16-6-4-5-14(9-16)13(3)25;1-3-20-18(25)14-10-17(26-11-14)16-7-8-21-19(23-16)22-15-6-4-5-13(9-15)12(2)24;1-11(23)12-4-3-5-14(8-12)21-18-20-7-6-15(22-18)16-9-13(10-25-16)17(24)19-2/h2-6,11-14,26H,7-10H2,1H3,(H,22,23,24);6-14,26H,4-5H2,1-3H3,(H,22,23,24);4-13,25H,1-3H3,(H,22,26)(H,21,23,24);4-12,24H,3H2,1-2H3,(H,20,25)(H,21,22,23);3-11,23H,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone?
N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone has a molecular weight of 1912.40 g/mol, XLogP of 19.21, 29 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;N-ethyl-5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-methylthiophene-3-carboxamide;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-propan-2-ylthiophene-3-carboxamide;[5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]thiophen-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 159601765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).