1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone

C100H82Cl9N21O9S6 — CID 158800234

About 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 158800234) has the molecular formula C100H82Cl9N21O9S6 and a molecular weight of 2233.37 g/mol. Its IUPAC name is 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 158800234
• Molecular Formula: C100H82Cl9N21O9S6
• Molecular Weight: 2233.37 g/mol
• Exact Mass: 2227.21
• IUPAC Name: 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1sc2nc(CC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N.CC(=O)c1sc2nc(OC(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CCOc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(C)=O)sc2n1.[C-]#[N+]c1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(C)=O)sc2n1
• InChI: InChI=1S/C18H15Cl2N3OS.C17H15Cl2N3O2S.C17H15ClN4OS.C17H16N4O2S.C16H13Cl2N3O2S.C15H8Cl2N4OS/c1-8(24)17-15(21)14-16(10-4-5-11(19)12(20)7-10)22-13(6-9-2-3-9)23-18(14)25-17;1-7(2)24-17-21-14(9-4-5-10(18)11(19)6-9)12-13(20)15(8(3)23)25-16(12)22-17;1-8(23)15-13(19)12-14(10-4-2-3-5-11(10)18)21-17(20-9-6-7-9)22-16(12)24-15;1-8(22)15-13(18)12-14(9-3-2-4-11(23)7-9)20-17(19-10-5-6-10)21-16(12)24-15;1-3-23-16-20-13(8-4-5-9(17)10(18)6-8)11-12(19)14(7(2)22)24-15(11)21-16;1-6(22)13-11(18)10-12(7-3-4-8(16)9(17)5-7)20-15(19-2)21-14(10)23-13/h4-5,7,9H,2-3,6,21H2,1H3;4-7H,20H2,1-3H3;2-5,9H,6-7,19H2,1H3,(H,20,21,22);2-4,7,10,23H,5-6,18H2,1H3,(H,19,20,21);4-6H,3,19H2,1-2H3;3-5H,18H2,1H3
• InChIKey: ITJUXWYKXKVBEH-UHFFFAOYSA-N
• XLogP: 28.28
• TPSA: 480.33 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2233.37
LogP ≤ 5	28.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone (CID 158800234) is 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(CC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N.CC(=O)c1sc2nc(OC(C)C)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CCOc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(C)=O)sc2n1.[C-]#[N+]c1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(C)=O)sc2n1.

What is the InChIKey of 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is ITJUXWYKXKVBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS.C17H15Cl2N3O2S.C17H15ClN4OS.C17H16N4O2S.C16H13Cl2N3O2S.C15H8Cl2N4OS/c1-8(24)17-15(21)14-16(10-4-5-11(19)12(20)7-10)22-13(6-9-2-3-9)23-18(14)25-17;1-7(2)24-17-21-14(9-4-5-10(18)11(19)6-9)12-13(20)15(8(3)23)25-16(12)22-17;1-8(23)15-13(19)12-14(10-4-2-3-5-11(10)18)21-17(20-9-6-7-9)22-16(12)24-15;1-8(22)15-13(18)12-14(9-3-2-4-11(23)7-9)20-17(19-10-5-6-10)21-16(12)24-15;1-3-23-16-20-13(8-4-5-9(17)10(18)6-8)11-12(19)14(7(2)22)24-15(11)21-16;1-6(22)13-11(18)10-12(7-3-4-8(16)9(17)5-7)20-15(19-2)21-14(10)23-13/h4-5,7,9H,2-3,6,21H2,1H3;4-7H,20H2,1-3H3;2-5,9H,6-7,19H2,1H3,(H,20,21,22);2-4,7,10,23H,5-6,18H2,1H3,(H,19,20,21);4-6H,3,19H2,1-2H3;3-5H,18H2,1H3.

What are the key properties of 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone?

1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 2233.37 g/mol, XLogP of 28.28, 22 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylmethyl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-ethoxythieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-isocyanothieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-propan-2-yloxythieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 158800234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).