2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)

C133H124Cl5F4N37O11S6 — CID 159393779

About 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)

2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide) (PubChem CID 159393779) has the molecular formula C133H124Cl5F4N37O11S6 and a molecular weight of 2862.36 g/mol. Its IUPAC name is 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide).

Molecular Properties

• Compound Name: 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)
• PubChem CID: 159393779
• Molecular Formula: C133H124Cl5F4N37O11S6
• Molecular Weight: 2862.36 g/mol
• Exact Mass: 2857.70
• IUPAC Name: 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)
• SMILES: CC(=O)c1sc2nc(CC(N)=O)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCC(C)(C)CN)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(F)(F)c1cc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)ccc1Cl.CC(F)(F)c1ccc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)cc1
• InChI: InChI=1S/C25H22ClF2N7O2S.C25H23F2N7O2S.2C24H23N7O2S.C19H21Cl2N5OS.C16H12Cl2N4O2S/c1-25(27,28)15-10-14(7-8-16(15)26)33-24(37)32-13-4-2-3-11(9-13)19-17-18(29)20(21(30)36)38-22(17)35-23(34-19)31-12-5-6-12;1-25(26,27)13-5-7-15(8-6-13)31-24(36)32-16-4-2-3-12(11-16)19-17-18(28)20(21(29)35)37-22(17)34-23(33-19)30-14-9-10-14;2*1-12-5-7-15(8-6-12)28-24(33)29-16-4-2-3-13(11-16)19-17-18(25)20(21(26)32)34-22(17)31-23(30-19)27-14-9-10-14;1-9(27)16-14(23)13-15(10-4-5-11(20)12(21)6-10)25-18(26-17(13)28-16)24-8-19(2,3)7-22;1-6(23)15-13(20)12-14(7-2-3-8(17)9(18)4-7)21-11(5-10(19)24)22-16(12)25-15/h2-4,7-10,12H,5-6,29H2,1H3,(H2,30,36)(H,31,34,35)(H2,32,33,37);2-8,11,14H,9-10,28H2,1H3,(H2,29,35)(H,30,33,34)(H2,31,32,36);2*2-8,11,14H,9-10,25H2,1H3,(H2,26,32)(H,27,30,31)(H2,28,29,33);4-6H,7-8,22-23H2,1-3H3,(H,24,25,26);2-4H,5,20H2,1H3,(H2,19,24)
• InChIKey: LMLLNBWGVIQQKF-UHFFFAOYSA-N
• XLogP: 28.85
• TPSA: 811.08 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 41
• Rotatable Bonds: 36
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2862.36
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)?

The IUPAC name of 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide) (CID 159393779) is 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide).

What is the SMILES notation for 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)?

The canonical SMILES for 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide) is CC(=O)c1sc2nc(CC(N)=O)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCC(C)(C)CN)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(F)(F)c1cc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)ccc1Cl.CC(F)(F)c1ccc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(NC4CC4)nc4sc(C(N)=O)c(N)c34)c2)cc1.

What is the InChIKey of 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)?

The InChIKey is LMLLNBWGVIQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N7O2S.C25H23F2N7O2S.2C24H23N7O2S.C19H21Cl2N5OS.C16H12Cl2N4O2S/c1-25(27,28)15-10-14(7-8-16(15)26)33-24(37)32-13-4-2-3-11(9-13)19-17-18(29)20(21(30)36)38-22(17)35-23(34-19)31-12-5-6-12;1-25(26,27)13-5-7-15(8-6-13)31-24(36)32-16-4-2-3-12(11-16)19-17-18(28)20(21(29)35)37-22(17)34-23(33-19)30-14-9-10-14;2*1-12-5-7-15(8-6-12)28-24(33)29-16-4-2-3-13(11-16)19-17-18(25)20(21(26)32)34-22(17)31-23(30-19)27-14-9-10-14;1-9(27)16-14(23)13-15(10-4-5-11(20)12(21)6-10)25-18(26-17(13)28-16)24-8-19(2,3)7-22;1-6(23)15-13(20)12-14(7-2-3-8(17)9(18)4-7)21-11(5-10(19)24)22-16(12)25-15/h2-4,7-10,12H,5-6,29H2,1H3,(H2,30,36)(H,31,34,35)(H2,32,33,37);2-8,11,14H,9-10,28H2,1H3,(H2,29,35)(H,30,33,34)(H2,31,32,36);2*2-8,11,14H,9-10,25H2,1H3,(H2,26,32)(H,27,30,31)(H2,28,29,33);4-6H,7-8,22-23H2,1-3H3,(H,24,25,26);2-4H,5,20H2,1H3,(H2,19,24).

What are the key properties of 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide)?

2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide) has a molecular weight of 2862.36 g/mol, XLogP of 28.85, 36 rotatable bonds, 25 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]acetamide;1-[5-amino-2-[(3-amino-2,2-dimethylpropyl)amino]-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-4-[3-[[4-chloro-3-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide;5-amino-2-(cyclopropylamino)-4-[3-[[4-(1,1-difluoroethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide;bis(5-amino-2-(cyclopropylamino)-4-[3-[(4-methylphenyl)carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide) is sourced from PubChem (CID 159393779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).