1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one

C66H60Cl6N16O4S3 — CID 91469059

About 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one

1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one (PubChem CID 91469059) has the molecular formula C66H60Cl6N16O4S3 and a molecular weight of 1450.23 g/mol. Its IUPAC name is 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one
• PubChem CID: 91469059
• Molecular Formula: C66H60Cl6N16O4S3
• Molecular Weight: 1450.23 g/mol
• Exact Mass: 1446.23
• IUPAC Name: 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one
• SMILES: CCC(=O)C1=C(N)c2c(nc(NC)nc2-c2ccc(Cl)c(Cl)c2)C1.CCC(=O)c1sc2nc(NC)nc(-c3cccc(Cl)c3)c2c1N.CCC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CNc1nc(-c2cccc(Cl)c2)c2c(N)c(C(C)=O)sc2n1
• InChI: InChI=1S/C18H16Cl2N4OS.C17H16Cl2N4O.C16H15ClN4OS.C15H13ClN4OS/c1-2-12(25)16-14(21)13-15(8-3-6-10(19)11(20)7-8)23-18(22-9-4-5-9)24-17(13)26-16;1-3-13(24)9-7-12-14(15(9)20)16(23-17(21-2)22-12)8-4-5-10(18)11(19)6-8;1-3-10(22)14-12(18)11-13(8-5-4-6-9(17)7-8)20-16(19-2)21-15(11)23-14;1-7(21)13-11(17)10-12(8-4-3-5-9(16)6-8)19-15(18-2)20-14(10)22-13/h3,6-7,9H,2,4-5,21H2,1H3,(H,22,23,24);4-6H,3,7,20H2,1-2H3,(H,21,22,23);4-7H,3,18H2,1-2H3,(H,19,20,21);3-6H,17H2,1-2H3,(H,18,19,20)
• InChIKey: AUUXPYHPROKTHK-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 323.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1450.23
LogP ≤ 5	17.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one?

The IUPAC name of 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one (CID 91469059) is 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one.

What is the SMILES notation for 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one?

The canonical SMILES for 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one is CCC(=O)C1=C(N)c2c(nc(NC)nc2-c2ccc(Cl)c(Cl)c2)C1.CCC(=O)c1sc2nc(NC)nc(-c3cccc(Cl)c3)c2c1N.CCC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CNc1nc(-c2cccc(Cl)c2)c2c(N)c(C(C)=O)sc2n1.

What is the InChIKey of 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one?

The InChIKey is AUUXPYHPROKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4OS.C17H16Cl2N4O.C16H15ClN4OS.C15H13ClN4OS/c1-2-12(25)16-14(21)13-15(8-3-6-10(19)11(20)7-8)23-18(22-9-4-5-9)24-17(13)26-16;1-3-13(24)9-7-12-14(15(9)20)16(23-17(21-2)22-12)8-4-5-10(18)11(19)6-8;1-3-10(22)14-12(18)11-13(8-5-4-6-9(17)7-8)20-16(19-2)21-15(11)23-14;1-7(21)13-11(17)10-12(8-4-3-5-9(16)6-8)19-15(18-2)20-14(10)22-13/h3,6-7,9H,2,4-5,21H2,1H3,(H,22,23,24);4-6H,3,7,20H2,1-2H3,(H,21,22,23);4-7H,3,18H2,1-2H3,(H,19,20,21);3-6H,17H2,1-2H3,(H,18,19,20).

What are the key properties of 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one?

1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one has a molecular weight of 1450.23 g/mol, XLogP of 17.18, 16 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]propan-1-one;1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)-7H-cyclopenta[d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 91469059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).