5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C112H97Cl6F3N28O6S6 — CID 159812071

IUPAC5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)cc3)c2c1N.CNC(=O)c1cc2c(-c3cccc(C(F)(F)F)c3)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)nc(-c3cccc(-c4ccccc4)c3)c2c1N.CNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1.Nc1c(C(=O)Nc2ccccc2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12.Nc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C22H17Cl2N5OS.C21H19N5OS.C19H13Cl2N5OS.C18H20ClN5OS.C16H15ClN4OS.C16H13F3N4OS/c23-14-9-6-11(10-15(14)24)18-16-17(25)19(20(30)26-12-4-2-1-3-5-12)31-21(16)29-22(28-18)27-13-7-8-13;1-23-19(27)18-16(22)15-17(25-21(24-2)26-20(15)28-18)14-10-6-9-13(11-14)12-7-4-3-5-8-12;20-11-7-6-9(8-12(11)21)15-13-14(22)16(28-18(13)26-19(23)25-15)17(27)24-10-4-2-1-3-5-10;1-18(2,3)24-15(25)14-12(20)11-13(9-5-7-10(19)8-6-9)22-17(21-4)23-16(11)26-14;1-3-10(22)14-12(18)11-13(8-4-6-9(17)7-5-8)20-16(19-2)21-15(11)23-14;1-20-13(24)11-7-10-12(22-15(21-2)23-14(10)25-11)8-4-3-5-9(6-8)16(17,18)19/h1-6,9-10,13H,7-8,25H2,(H,26,30)(H,27,28,29);3-11H,22H2,1-2H3,(H,23,27)(H,24,25,26);1-8H,22H2,(H,24,27)(H2,23,25,26);5-8H,20H2,1-4H3,(H,24,25)(H,21,22,23);4-7H,3,18H2,1-2H3,(H,19,20,21);3-7H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyNLDRFRVAJHLZTH-UHFFFAOYSA-N
MW2393.31 g/mol
LogP27.34
Rot. Bonds22

About 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159812071) has the molecular formula C112H97Cl6F3N28O6S6 and a molecular weight of 2393.31 g/mol. Its IUPAC name is 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID159812071
Molecular FormulaC112H97Cl6F3N28O6S6
Molecular Weight2393.31 g/mol
Exact Mass2388.46
IUPAC Name5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)cc3)c2c1N.CNC(=O)c1cc2c(-c3cccc(C(F)(F)F)c3)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)nc(-c3cccc(-c4ccccc4)c3)c2c1N.CNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1.Nc1c(C(=O)Nc2ccccc2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12.Nc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C22H17Cl2N5OS.C21H19N5OS.C19H13Cl2N5OS.C18H20ClN5OS.C16H15ClN4OS.C16H13F3N4OS/c23-14-9-6-11(10-15(14)24)18-16-17(25)19(20(30)26-12-4-2-1-3-5-12)31-21(16)29-22(28-18)27-13-7-8-13;1-23-19(27)18-16(22)15-17(25-21(24-2)26-20(15)28-18)14-10-6-9-13(11-14)12-7-4-3-5-8-12;20-11-7-6-9(8-12(11)21)15-13-14(22)16(28-18(13)26-19(23)25-15)17(27)24-10-4-2-1-3-5-10;1-18(2,3)24-15(25)14-12(20)11-13(9-5-7-10(19)8-6-9)22-17(21-4)23-16(11)26-14;1-3-10(22)14-12(18)11-13(8-4-6-9(17)7-5-8)20-16(19-2)21-15(11)23-14;1-20-13(24)11-7-10-12(22-15(21-2)23-14(10)25-11)8-4-3-5-9(6-8)16(17,18)19/h1-6,9-10,13H,7-8,25H2,(H,26,30)(H,27,28,29);3-11H,22H2,1-2H3,(H,23,27)(H,24,25,26);1-8H,22H2,(H,24,27)(H2,23,25,26);5-8H,20H2,1-4H3,(H,24,25)(H,21,22,23);4-7H,3,18H2,1-2H3,(H,19,20,21);3-7H,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyNLDRFRVAJHLZTH-UHFFFAOYSA-N
XLogP27.34
TPSA533.52 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.31
LogP ≤ 527.34
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Analyze 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 159812071) is 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCC(=O)c1sc2nc(NC)nc(-c3ccc(Cl)cc3)c2c1N.CNC(=O)c1cc2c(-c3cccc(C(F)(F)F)c3)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)nc(-c3cccc(-c4ccccc4)c3)c2c1N.CNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1.Nc1c(C(=O)Nc2ccccc2)sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c12.Nc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1.
What is the InChIKey of 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NLDRFRVAJHLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5OS.C21H19N5OS.C19H13Cl2N5OS.C18H20ClN5OS.C16H15ClN4OS.C16H13F3N4OS/c23-14-9-6-11(10-15(14)24)18-16-17(25)19(20(30)26-12-4-2-1-3-5-12)31-21(16)29-22(28-18)27-13-7-8-13;1-23-19(27)18-16(22)15-17(25-21(24-2)26-20(15)28-18)14-10-6-9-13(11-14)12-7-4-3-5-8-12;20-11-7-6-9(8-12(11)21)15-13-14(22)16(28-18(13)26-19(23)25-15)17(27)24-10-4-2-1-3-5-10;1-18(2,3)24-15(25)14-12(20)11-13(9-5-7-10(19)8-6-9)22-17(21-4)23-16(11)26-14;1-3-10(22)14-12(18)11-13(8-4-6-9(17)7-5-8)20-16(19-2)21-15(11)23-14;1-20-13(24)11-7-10-12(22-15(21-2)23-14(10)25-11)8-4-3-5-9(6-8)16(17,18)19/h1-6,9-10,13H,7-8,25H2,(H,26,30)(H,27,28,29);3-11H,22H2,1-2H3,(H,23,27)(H,24,25,26);1-8H,22H2,(H,24,27)(H2,23,25,26);5-8H,20H2,1-4H3,(H,24,25)(H,21,22,23);4-7H,3,18H2,1-2H3,(H,19,20,21);3-7H,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2393.31 g/mol, XLogP of 27.34, 22 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-tert-butyl-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(4-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-N-methyl-2-(methylamino)-4-(3-phenylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-4-(3,4-dichlorophenyl)-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159812071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).