5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone

C51H52ClN15O6S3 — CID 91110665

About 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone

5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 91110665) has the molecular formula C51H52ClN15O6S3 and a molecular weight of 1102.73 g/mol. Its IUPAC name is 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 91110665
• Molecular Formula: C51H52ClN15O6S3
• Molecular Weight: 1102.73 g/mol
• Exact Mass: 1101.31
• IUPAC Name: 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(=O)[nH]c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cncc(Cl)c3)c2c1N.CCOc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)c1
• InChI: InChI=1S/C19H23N5O3S.C16H14ClN5OS.C16H15N5O2S/c1-5-27-12-6-11(7-21-8-12)15-13-14(20)16(10(2)26)28-17(13)23-18(22-15)24-19(3,4)9-25;1-7(23)14-12(18)11-13(8-4-9(17)6-19-5-8)21-16(20-10-2-3-10)22-15(11)24-14;1-7(22)14-12(17)11-13(8-2-5-10(23)18-6-8)20-16(19-9-3-4-9)21-15(11)24-14/h6-8,25H,5,9,20H2,1-4H3,(H,22,23,24);4-6,10H,2-3,18H2,1H3,(H,20,21,22);2,5-6,9H,3-4,17H2,1H3,(H,18,23)(H,19,20,21)
• InChIKey: LHMHCAOIRUIBOW-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 330.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1102.73
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 91110665) is 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(=O)[nH]c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cncc(Cl)c3)c2c1N.CCOc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(C)=O)c(N)c23)c1.

What is the InChIKey of 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is LHMHCAOIRUIBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S.C16H14ClN5OS.C16H15N5O2S/c1-5-27-12-6-11(7-21-8-12)15-13-14(20)16(10(2)26)28-17(13)23-18(22-15)24-19(3,4)9-25;1-7(23)14-12(18)11-13(8-4-9(17)6-19-5-8)21-16(20-10-2-3-10)22-15(11)24-14;1-7(22)14-12(17)11-13(8-2-5-10(23)18-6-8)20-16(19-9-3-4-9)21-15(11)24-14/h6-8,25H,5,9,20H2,1-4H3,(H,22,23,24);4-6,10H,2-3,18H2,1H3,(H,20,21,22);2,5-6,9H,3-4,17H2,1H3,(H,18,23)(H,19,20,21).

What are the key properties of 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?

5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 1102.73 g/mol, XLogP of 9.29, 15 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 91110665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).