3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone

C91H83N23O7S5 — CID 91356458

About 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone

3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 91356458) has the molecular formula C91H83N23O7S5 and a molecular weight of 1771.15 g/mol. Its IUPAC name is 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 91356458
• Molecular Formula: C91H83N23O7S5
• Molecular Weight: 1771.15 g/mol
• Exact Mass: 1769.54
• IUPAC Name: 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc4ccccc4c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(C#N)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(C(N)=O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccnc3)c2c1N.COc1ccccc1-c1nc(NC2CC2)nc2sc(C(C)=O)c(N)c12
• InChI: InChI=1S/C21H18N4OS.C18H17N5O2S.C18H15N5OS.C18H18N4O2S.C16H15N5OS/c1-11(26)19-17(22)16-18(14-7-6-12-4-2-3-5-13(12)10-14)24-21(23-15-8-9-15)25-20(16)27-19;1-8(24)15-13(19)12-14(9-3-2-4-10(7-9)16(20)25)22-18(21-11-5-6-11)23-17(12)26-15;1-9(24)16-14(20)13-15(11-4-2-3-10(7-11)8-19)22-18(21-12-5-6-12)23-17(13)25-16;1-9(23)16-14(19)13-15(11-5-3-4-6-12(11)24-2)21-18(20-10-7-8-10)22-17(13)25-16;1-8(22)14-12(17)11-13(9-3-2-6-18-7-9)20-16(19-10-4-5-10)21-15(11)23-14/h2-7,10,15H,8-9,22H2,1H3,(H,23,24,25);2-4,7,11H,5-6,19H2,1H3,(H2,20,25)(H,21,22,23);2-4,7,12H,5-6,20H2,1H3,(H,21,22,23);3-6,10H,7-8,19H2,1-2H3,(H,20,21,22);2-3,6-7,10H,4-5,17H2,1H3,(H,19,20,21)
• InChIKey: HFPCHIGZIWHAPI-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 493.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1771.15
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

The IUPAC name of 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone (CID 91356458) is 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

The canonical SMILES for 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc4ccccc4c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(C#N)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(C(N)=O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccnc3)c2c1N.COc1ccccc1-c1nc(NC2CC2)nc2sc(C(C)=O)c(N)c12.

What is the InChIKey of 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

The InChIKey is HFPCHIGZIWHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS.C18H17N5O2S.C18H15N5OS.C18H18N4O2S.C16H15N5OS/c1-11(26)19-17(22)16-18(14-7-6-12-4-2-3-5-13(12)10-14)24-21(23-15-8-9-15)25-20(16)27-19;1-8(24)15-13(19)12-14(9-3-2-4-10(7-9)16(20)25)22-18(21-11-5-6-11)23-17(12)26-15;1-9(24)16-14(20)13-15(11-4-2-3-10(7-11)8-19)22-18(21-12-5-6-12)23-17(13)25-16;1-9(23)16-14(19)13-15(11-5-3-4-6-12(11)24-2)21-18(20-10-7-8-10)22-17(13)25-16;1-8(22)14-12(17)11-13(9-3-2-6-18-7-9)20-16(19-10-4-5-10)21-15(11)23-14/h2-7,10,15H,8-9,22H2,1H3,(H,23,24,25);2-4,7,11H,5-6,19H2,1H3,(H2,20,25)(H,21,22,23);2-4,7,12H,5-6,20H2,1H3,(H,21,22,23);3-6,10H,7-8,19H2,1-2H3,(H,20,21,22);2-3,6-7,10H,4-5,17H2,1H3,(H,19,20,21).

What are the key properties of 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?

3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 1771.15 g/mol, XLogP of 18.11, 22 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzamide;3-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]benzonitrile;1-[5-amino-2-(cyclopropylamino)-4-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-naphthalen-2-ylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 91356458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).