1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

C91H85Cl2N23O7S5 — CID 91514275

About 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 91514275) has the molecular formula C91H85Cl2N23O7S5 and a molecular weight of 1844.08 g/mol. Its IUPAC name is 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 91514275
• Molecular Formula: C91H85Cl2N23O7S5
• Molecular Weight: 1844.08 g/mol
• Exact Mass: 1841.50
• IUPAC Name: 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(C)cc3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)cc3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)nc3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(OCc4ccccc4)nc3)c2c1N.COc1cncc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1
• InChI: InChI=1S/C23H21N5O2S.C18H18N4OS.C17H15ClN4OS.C17H17N5O2S.C16H14ClN5OS/c1-13(29)21-19(24)18-20(27-23(26-16-8-9-16)28-22(18)31-21)15-7-10-17(25-11-15)30-12-14-5-3-2-4-6-14;1-9-3-5-11(6-4-9)15-13-14(19)16(10(2)23)24-17(13)22-18(21-15)20-12-7-8-12;1-8(23)15-13(19)12-14(9-2-4-10(18)5-3-9)21-17(20-11-6-7-11)22-16(12)24-15;1-8(23)15-13(18)12-14(9-5-11(24-2)7-19-6-9)21-17(20-10-3-4-10)22-16(12)25-15;1-7(23)14-12(18)11-13(8-2-5-10(17)19-6-8)21-16(20-9-3-4-9)22-15(11)24-14/h2-7,10-11,16H,8-9,12,24H2,1H3,(H,26,27,28);3-6,12H,7-8,19H2,1-2H3,(H,20,21,22);2-5,11H,6-7,19H2,1H3,(H,20,21,22);5-7,10H,3-4,18H2,1-2H3,(H,20,21,22);2,5-6,9H,3-4,18H2,1H3,(H,20,21,22)
• InChIKey: VXUUYBLRVQMFQB-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 461.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1844.08
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 91514275) is 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(C)cc3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)cc3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)nc3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(OCc4ccccc4)nc3)c2c1N.COc1cncc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1.

What is the InChIKey of 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is VXUUYBLRVQMFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S.C18H18N4OS.C17H15ClN4OS.C17H17N5O2S.C16H14ClN5OS/c1-13(29)21-19(24)18-20(27-23(26-16-8-9-16)28-22(18)31-21)15-7-10-17(25-11-15)30-12-14-5-3-2-4-6-14;1-9-3-5-11(6-4-9)15-13-14(19)16(10(2)23)24-17(13)22-18(21-15)20-12-7-8-12;1-8(23)15-13(19)12-14(9-2-4-10(18)5-3-9)21-17(20-11-6-7-11)22-16(12)24-15;1-8(23)15-13(18)12-14(9-5-11(24-2)7-19-6-9)21-17(20-10-3-4-10)22-16(12)25-15;1-7(23)14-12(18)11-13(8-2-5-10(17)19-6-8)21-16(20-9-3-4-9)22-15(11)24-14/h2-7,10-11,16H,8-9,12,24H2,1H3,(H,26,27,28);3-6,12H,7-8,19H2,1-2H3,(H,20,21,22);2-5,11H,6-7,19H2,1H3,(H,20,21,22);5-7,10H,3-4,18H2,1-2H3,(H,20,21,22);2,5-6,9H,3-4,18H2,1H3,(H,20,21,22).

What are the key properties of 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?

1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 1844.08 g/mol, XLogP of 19.97, 24 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 91514275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).