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

C86H78Cl3F2N21O8S5 — CID 161256542

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

1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 161256542) has the molecular formula C86H78Cl3F2N21O8S5 and a molecular weight of 1838.40 g/mol. Its IUPAC name is 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
• PubChem CID: 161256542
• Molecular Formula: C86H78Cl3F2N21O8S5
• Molecular Weight: 1838.40 g/mol
• Exact Mass: 1835.40
• IUPAC Name: 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(F)c(F)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N.COc1cc(Cl)cc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cn1
• InChI: InChI=1S/C18H17ClN4O2S.C17H15ClN4O2S.C17H15ClN4OS.C17H14F2N4OS.C17H17N5O2S/c1-8(24)16-14(20)13-15(9-5-10(19)7-12(6-9)25-2)22-18(21-11-3-4-11)23-17(13)26-16;1-7(23)15-13(19)12-14(8-4-9(18)6-11(24)5-8)21-17(20-10-2-3-10)22-16(12)25-15;1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15;1-7(24)15-13(20)12-14(8-2-5-10(18)11(19)6-8)22-17(21-9-3-4-9)23-16(12)25-15;1-8(23)15-13(18)12-14(9-3-6-11(24-2)19-7-9)21-17(20-10-4-5-10)22-16(12)25-15/h5-7,11H,3-4,20H2,1-2H3,(H,21,22,23);4-6,10,24H,2-3,19H2,1H3,(H,20,21,22);2-4,7,11H,5-6,19H2,1H3,(H,20,21,22);2,5-6,9H,3-4,20H2,1H3,(H,21,22,23);3,6-7,10H,4-5,18H2,1-2H3,(H,20,21,22)
• InChIKey: VBZNRIUDEBFQNN-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 456.08 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.40
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 161256542) is 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

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

The canonical SMILES for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(F)c(F)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N.COc1cc(Cl)cc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cn1.

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

The InChIKey is VBZNRIUDEBFQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S.C17H15ClN4O2S.C17H15ClN4OS.C17H14F2N4OS.C17H17N5O2S/c1-8(24)16-14(20)13-15(9-5-10(19)7-12(6-9)25-2)22-18(21-11-3-4-11)23-17(13)26-16;1-7(23)15-13(19)12-14(8-4-9(18)6-11(24)5-8)21-17(20-10-2-3-10)22-16(12)25-15;1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15;1-7(24)15-13(20)12-14(8-2-5-10(18)11(19)6-8)22-17(21-9-3-4-9)23-16(12)25-15;1-8(23)15-13(18)12-14(9-3-6-11(24-2)19-7-9)21-17(20-10-4-5-10)22-16(12)25-15/h5-7,11H,3-4,20H2,1-2H3,(H,21,22,23);4-6,10,24H,2-3,19H2,1H3,(H,20,21,22);2-4,7,11H,5-6,19H2,1H3,(H,20,21,22);2,5-6,9H,3-4,20H2,1H3,(H,21,22,23);3,6-7,10H,4-5,18H2,1-2H3,(H,20,21,22).

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

1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 1838.40 g/mol, XLogP of 19.94, 22 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 161256542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).