N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc

C83H105ClN20O19S5Zn — CID 159430645

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc
SMILESC.C1COCCN1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cnc(N2CCOCC2)nc1.CCOC(=O)c1cnc(SC)nc1.CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SOOC)nc1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCOCC2)nc1.O=C(O)c1cnc(N2CCOCC2)nc1.[Zn]
InChIInChI=1S/C19H19N5O2S.C15H18N2O2S.C11H15N3O3.C9H11N3O3.C8H9ClN2O2S.C8H10N2O4S.C8H10N2O2S.C4H9NO.CH4.Zn/c20-15-4-3-13(17-2-1-9-27-17)10-16(15)23-18(25)14-11-21-19(22-12-14)24-5-7-26-8-6-24;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;1-2-17-10(15)9-7-12-11(13-8-9)14-3-5-16-6-4-14;13-8(14)7-5-10-9(11-6-7)12-1-3-15-4-2-12;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;1-3-13-7(11)6-4-9-8(10-5-6)15-14-12-2;1-3-12-7(11)6-4-9-8(13-2)10-5-6;1-3-6-4-2-5-1;;/h1-4,9-12H,5-8,20H2,(H,23,25);4-9H,16H2,1-3H3,(H,17,18);7-8H,2-6H2,1H3;5-6H,1-4H2,(H,13,14);4H,3H2,1-2H3;4-5H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,1-4H2;1H4;
InChIKeyLQYDCCAMYDYFCQ-UHFFFAOYSA-N
MW1948.05 g/mol
LogP12.60
Rot. Bonds22

About N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc

N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc (PubChem CID 159430645) has the molecular formula C83H105ClN20O19S5Zn and a molecular weight of 1948.05 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc
PubChem CID159430645
Molecular FormulaC83H105ClN20O19S5Zn
Molecular Weight1948.05 g/mol
Exact Mass1944.54
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc
SMILESC.C1COCCN1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cnc(N2CCOCC2)nc1.CCOC(=O)c1cnc(SC)nc1.CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SOOC)nc1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCOCC2)nc1.O=C(O)c1cnc(N2CCOCC2)nc1.[Zn]
InChIInChI=1S/C19H19N5O2S.C15H18N2O2S.C11H15N3O3.C9H11N3O3.C8H9ClN2O2S.C8H10N2O4S.C8H10N2O2S.C4H9NO.CH4.Zn/c20-15-4-3-13(17-2-1-9-27-17)10-16(15)23-18(25)14-11-21-19(22-12-14)24-5-7-26-8-6-24;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;1-2-17-10(15)9-7-12-11(13-8-9)14-3-5-16-6-4-14;13-8(14)7-5-10-9(11-6-7)12-1-3-15-4-2-12;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;1-3-13-7(11)6-4-9-8(10-5-6)15-14-12-2;1-3-12-7(11)6-4-9-8(13-2)10-5-6;1-3-6-4-2-5-1;;/h1-4,9-12H,5-8,20H2,(H,23,25);4-9H,16H2,1-3H3,(H,17,18);7-8H,2-6H2,1H3;5-6H,1-4H2,(H,13,14);4H,3H2,1-2H3;4-5H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,1-4H2;1H4;
InChIKeyLQYDCCAMYDYFCQ-UHFFFAOYSA-N
XLogP12.60
TPSA493.78 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001948.05
LogP ≤ 512.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc with MolForge

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Launch Full Analysis

Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide;N-(2-amino-5-thiophen-2-ylphenyl)-2-(piperidin-4-ylamino)pyrimidine-5-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride
CID 157927852
N-(2-amino-5-thiophen-2-ylphenyl)-5-piperazin-1-ylpyrazine-2-carboxamide;tert-butyl 4-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 159076765
bromobenzene;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-(1-phenylpiperidin-4-yl)carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;1-phenylpiperidin-4-amine;2-[(1-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 159296598
sodium;N-(2-amino-5-thiophen-2-ylphenyl)-2-[4-[(4-phenylphenyl)carbamoyl]piperazin-1-yl]pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-[4-[(4-phenylphenyl)carbamoyl]piperazin-1-yl]pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-[4-[(4-phenylphenyl)carbamoyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 161499225

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc (CID 159430645) is N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc is C.C1COCCN1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cnc(N2CCOCC2)nc1.CCOC(=O)c1cnc(SC)nc1.CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SOOC)nc1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCOCC2)nc1.O=C(O)c1cnc(N2CCOCC2)nc1.[Zn].
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc?
The InChIKey is LQYDCCAMYDYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S.C15H18N2O2S.C11H15N3O3.C9H11N3O3.C8H9ClN2O2S.C8H10N2O4S.C8H10N2O2S.C4H9NO.CH4.Zn/c20-15-4-3-13(17-2-1-9-27-17)10-16(15)23-18(25)14-11-21-19(22-12-14)24-5-7-26-8-6-24;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;1-2-17-10(15)9-7-12-11(13-8-9)14-3-5-16-6-4-14;13-8(14)7-5-10-9(11-6-7)12-1-3-15-4-2-12;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;1-3-13-7(11)6-4-9-8(10-5-6)15-14-12-2;1-3-12-7(11)6-4-9-8(13-2)10-5-6;1-3-6-4-2-5-1;;/h1-4,9-12H,5-8,20H2,(H,23,25);4-9H,16H2,1-3H3,(H,17,18);7-8H,2-6H2,1H3;5-6H,1-4H2,(H,13,14);4H,3H2,1-2H3;4-5H,3H2,1-2H3;4-5H,3H2,1-2H3;5H,1-4H2;1H4;.
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc?
N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc has a molecular weight of 1948.05 g/mol, XLogP of 12.60, 22 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylperoxysulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-morpholin-4-ylpyrimidine-5-carboxylate;methane;morpholine;2-morpholin-4-ylpyrimidine-5-carboxylic acid;zinc is sourced from PubChem (CID 159430645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).