1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone

C103H94Cl12N24O9S6 — CID 158249298

About 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 158249298) has the molecular formula C103H94Cl12N24O9S6 and a molecular weight of 2429.88 g/mol. Its IUPAC name is 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 158249298
• Molecular Formula: C103H94Cl12N24O9S6
• Molecular Weight: 2429.88 g/mol
• Exact Mass: 2422.22
• IUPAC Name: 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1sc2nc(N3CCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(N3CCCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCCCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N
• InChI: InChI=1S/C18H18Cl2N4O2S.C18H16Cl2N4OS.C17H16Cl2N4O2S.C17H14Cl2N4OS.C17H16Cl2N4OS.C16H14Cl2N4O2S/c1-9(26)16-14(21)13-15(10-4-5-11(19)12(20)8-10)23-18(24-17(13)27-16)22-6-2-3-7-25;1-9(25)16-14(21)13-15(10-4-5-11(19)12(20)8-10)22-18(23-17(13)26-16)24-6-2-3-7-24;1-8(25)15-13(20)12-14(9-3-4-10(18)11(19)7-9)22-17(21-5-2-6-24)23-16(12)26-15;1-8(24)15-13(20)12-14(9-3-4-10(18)11(19)7-9)21-17(22-16(12)25-15)23-5-2-6-23;1-7(2)21-17-22-14(9-4-5-10(18)11(19)6-9)12-13(20)15(8(3)24)25-16(12)23-17;1-7(24)14-12(19)11-13(8-2-3-9(17)10(18)6-8)21-16(20-4-5-23)22-15(11)25-14/h4-5,8,25H,2-3,6-7,21H2,1H3,(H,22,23,24);4-5,8H,2-3,6-7,21H2,1H3;3-4,7,24H,2,5-6,20H2,1H3,(H,21,22,23);3-4,7H,2,5-6,20H2,1H3;4-7H,20H2,1-3H3,(H,21,22,23);2-3,6,23H,4-5,19H2,1H3,(H,20,21,22)
• InChIKey: GGNBAPXLZIEJDW-UHFFFAOYSA-N
• XLogP: 27.71
• TPSA: 528.51 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.88
LogP ≤ 5	27.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone (CID 158249298) is 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(N3CCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(N3CCCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCCCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.

What is the InChIKey of 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is GGNBAPXLZIEJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2S.C18H16Cl2N4OS.C17H16Cl2N4O2S.C17H14Cl2N4OS.C17H16Cl2N4OS.C16H14Cl2N4O2S/c1-9(26)16-14(21)13-15(10-4-5-11(19)12(20)8-10)23-18(24-17(13)27-16)22-6-2-3-7-25;1-9(25)16-14(21)13-15(10-4-5-11(19)12(20)8-10)22-18(23-17(13)26-16)24-6-2-3-7-24;1-8(25)15-13(20)12-14(9-3-4-10(18)11(19)7-9)22-17(21-5-2-6-24)23-16(12)26-15;1-8(24)15-13(20)12-14(9-3-4-10(18)11(19)7-9)21-17(22-16(12)25-15)23-5-2-6-23;1-7(2)21-17-22-14(9-4-5-10(18)11(19)6-9)12-13(20)15(8(3)24)25-16(12)23-17;1-7(24)14-12(19)11-13(8-2-3-9(17)10(18)6-8)21-16(20-4-5-23)22-15(11)25-14/h4-5,8,25H,2-3,6-7,21H2,1H3,(H,22,23,24);4-5,8H,2-3,6-7,21H2,1H3;3-4,7,24H,2,5-6,20H2,1H3,(H,21,22,23);3-4,7H,2,5-6,20H2,1H3;4-7H,20H2,1-3H3,(H,21,22,23);2-3,6,23H,4-5,19H2,1H3,(H,20,21,22).

What are the key properties of 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 2429.88 g/mol, XLogP of 27.71, 28 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 158249298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).