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

C90H72Cl8F3N25O6S6 — CID 162242395

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

5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 162242395) has the molecular formula C90H72Cl8F3N25O6S6 and a molecular weight of 2132.75 g/mol. Its IUPAC name is 5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 162242395
• Molecular Formula: C90H72Cl8F3N25O6S6
• Molecular Weight: 2132.75 g/mol
• Exact Mass: 2127.19
• IUPAC Name: 5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CC(=O)c1cc2c(-c3cc(Cl)cc(Cl)c3)nc(N)nc2s1.CNC(=O)c1cc2c(-c3cc(Cl)cc(Cl)c3)nc(N)nc2s1.CNC(=O)c1cc2c(-c3cc(Cl)cc(Cl)c3)nc(NC)nc2s1.CNC(=O)c1cc2c(-c3ccccc3C(F)(F)F)nc(NC)nc2s1.CNC(=O)c1sc2nc(N)nc(-c3cccc(Cl)c3)c2c1N.CNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N
• InChI: InChI=1S/C17H16ClN5OS.C16H13F3N4OS.C15H12Cl2N4OS.C14H10Cl2N4OS.C14H9Cl2N3OS.C14H12ClN5OS/c1-20-15(24)14-12(19)11-13(8-3-2-4-9(18)7-8)22-17(21-10-5-6-10)23-16(11)25-14;1-20-13(24)11-7-9-12(22-15(21-2)23-14(9)25-11)8-5-3-4-6-10(8)16(17,18)19;1-18-13(22)11-6-10-12(7-3-8(16)5-9(17)4-7)20-15(19-2)21-14(10)23-11;1-18-12(21)10-5-9-11(19-14(17)20-13(9)22-10)6-2-7(15)4-8(16)3-6;1-6(20)11-5-10-12(18-14(17)19-13(10)21-11)7-2-8(15)4-9(16)3-7;1-18-12(21)11-9(16)8-10(6-3-2-4-7(15)5-6)19-14(17)20-13(8)22-11/h2-4,7,10H,5-6,19H2,1H3,(H,20,24)(H,21,22,23);3-7H,1-2H3,(H,20,24)(H,21,22,23);3-6H,1-2H3,(H,18,22)(H,19,20,21);2-5H,1H3,(H,18,21)(H2,17,19,20);2-5H,1H3,(H2,17,18,19);2-5H,16H2,1H3,(H,18,21)(H2,17,19,20)
• InChIKey: ZWWJQUSIKNUEKX-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 483.44 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2132.75
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of 5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 162242395) is 5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is CC(=O)c1cc2c(-c3cc(Cl)cc(Cl)c3)nc(N)nc2s1.CNC(=O)c1cc2c(-c3cc(Cl)cc(Cl)c3)nc(N)nc2s1.CNC(=O)c1cc2c(-c3cc(Cl)cc(Cl)c3)nc(NC)nc2s1.CNC(=O)c1cc2c(-c3ccccc3C(F)(F)F)nc(NC)nc2s1.CNC(=O)c1sc2nc(N)nc(-c3cccc(Cl)c3)c2c1N.CNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N.

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

The InChIKey is ZWWJQUSIKNUEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS.C16H13F3N4OS.C15H12Cl2N4OS.C14H10Cl2N4OS.C14H9Cl2N3OS.C14H12ClN5OS/c1-20-15(24)14-12(19)11-13(8-3-2-4-9(18)7-8)22-17(21-10-5-6-10)23-16(11)25-14;1-20-13(24)11-7-9-12(22-15(21-2)23-14(9)25-11)8-5-3-4-6-10(8)16(17,18)19;1-18-13(22)11-6-10-12(7-3-8(16)5-9(17)4-7)20-15(19-2)21-14(10)23-11;1-18-12(21)10-5-9-11(19-14(17)20-13(9)22-10)6-2-7(15)4-8(16)3-6;1-6(20)11-5-10-12(18-14(17)19-13(10)21-11)7-2-8(15)4-9(16)3-7;1-18-12(21)11-9(16)8-10(6-3-2-4-7(15)5-6)19-14(17)20-13(8)22-11/h2-4,7,10H,5-6,19H2,1H3,(H,20,24)(H,21,22,23);3-7H,1-2H3,(H,20,24)(H,21,22,23);3-6H,1-2H3,(H,18,22)(H,19,20,21);2-5H,1H3,(H,18,21)(H2,17,19,20);2-5H,1H3,(H2,17,18,19);2-5H,16H2,1H3,(H,18,21)(H2,17,19,20).

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

5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2132.75 g/mol, XLogP of 21.97, 16 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(3,5-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2-amino-4-(3,5-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;2,5-diamino-4-(3-chlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(3,5-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 162242395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).