5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone

C99H90Cl4F9N29O6S6 — CID 91515450

About 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone

5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 91515450) has the molecular formula C99H90Cl4F9N29O6S6 and a molecular weight of 2287.20 g/mol. Its IUPAC name is 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 91515450
• Molecular Formula: C99H90Cl4F9N29O6S6
• Molecular Weight: 2287.20 g/mol
• Exact Mass: 2283.46
• IUPAC Name: 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CCNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)NC)sc2n1.CNC(=O)c1sc2nc(N)nc(-c3cccc(C(F)(F)F)c3)c2c1N.CNC(=O)c1sc2nc(NC)nc(-c3cccc(C(F)(F)F)c3)c2c1N.CNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)cc3)c2c1N.CNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)N3CCN(C)CC3)sc2n1.CNc1nc(-c2cccc(C(F)(F)F)c2)c2cc(C(C)=O)sc2n1
• InChI: InChI=1S/C19H20Cl2N6OS.C17H16ClN5OS.C16H16ClN5OS.C16H14F3N5OS.C16H12F3N3OS.C15H12F3N5OS/c1-23-19-24-15(10-3-4-11(20)12(21)9-10)13-14(22)16(29-17(13)25-19)18(28)27-7-5-26(2)6-8-27;1-20-15(24)14-12(19)11-13(8-2-4-9(18)5-3-8)22-17(21-10-6-7-10)23-16(11)25-14;1-3-20-16-21-12(8-4-6-9(17)7-5-8)10-11(18)13(14(23)19-2)24-15(10)22-16;1-21-13(25)12-10(20)9-11(23-15(22-2)24-14(9)26-12)7-4-3-5-8(6-7)16(17,18)19;1-8(23)12-7-11-13(21-15(20-2)22-14(11)24-12)9-4-3-5-10(6-9)16(17,18)19;1-21-12(24)11-9(19)8-10(22-14(20)23-13(8)25-11)6-3-2-4-7(5-6)15(16,17)18/h3-4,9H,5-8,22H2,1-2H3,(H,23,24,25);2-5,10H,6-7,19H2,1H3,(H,20,24)(H,21,22,23);4-7H,3,18H2,1-2H3,(H,19,23)(H,20,21,22);3-6H,20H2,1-2H3,(H,21,25)(H,22,23,24);3-7H,1-2H3,(H,20,21,22);2-5H,19H2,1H3,(H,21,24)(H2,20,22,23)
• InChIKey: HHLDLERHFFSPQC-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 527.97 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2287.20
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 91515450) is 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone is CCNc1nc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)NC)sc2n1.CNC(=O)c1sc2nc(N)nc(-c3cccc(C(F)(F)F)c3)c2c1N.CNC(=O)c1sc2nc(NC)nc(-c3cccc(C(F)(F)F)c3)c2c1N.CNC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)cc3)c2c1N.CNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(=O)N3CCN(C)CC3)sc2n1.CNc1nc(-c2cccc(C(F)(F)F)c2)c2cc(C(C)=O)sc2n1.

What is the InChIKey of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is HHLDLERHFFSPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6OS.C17H16ClN5OS.C16H16ClN5OS.C16H14F3N5OS.C16H12F3N3OS.C15H12F3N5OS/c1-23-19-24-15(10-3-4-11(20)12(21)9-10)13-14(22)16(29-17(13)25-19)18(28)27-7-5-26(2)6-8-27;1-20-15(24)14-12(19)11-13(8-2-4-9(18)5-3-8)22-17(21-10-6-7-10)23-16(11)25-14;1-3-20-16-21-12(8-4-6-9(17)7-5-8)10-11(18)13(14(23)19-2)24-15(10)22-16;1-21-13(25)12-10(20)9-11(23-15(22-2)24-14(9)26-12)7-4-3-5-8(6-7)16(17,18)19;1-8(23)12-7-11-13(21-15(20-2)22-14(11)24-12)9-4-3-5-10(6-9)16(17,18)19;1-21-12(24)11-9(19)8-10(22-14(20)23-13(8)25-11)6-3-2-4-7(5-6)15(16,17)18/h3-4,9H,5-8,22H2,1-2H3,(H,23,24,25);2-5,10H,6-7,19H2,1H3,(H,20,24)(H,21,22,23);4-7H,3,18H2,1-2H3,(H,19,23)(H,20,21,22);3-6H,20H2,1-2H3,(H,21,25)(H,22,23,24);3-7H,1-2H3,(H,20,21,22);2-5H,19H2,1H3,(H,21,24)(H2,20,22,23).

What are the key properties of 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone?

5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 2287.20 g/mol, XLogP of 21.47, 19 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;5-amino-4-(4-chlorophenyl)-2-(ethylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone;5-amino-N-methyl-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;2,5-diamino-N-methyl-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;1-[2-(methylamino)-4-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 91515450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).