6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C81H72Cl10N20O6S3 — CID 158202631

About 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine

6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 158202631) has the molecular formula C81H72Cl10N20O6S3 and a molecular weight of 1872.33 g/mol. Its IUPAC name is 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• PubChem CID: 158202631
• Molecular Formula: C81H72Cl10N20O6S3
• Molecular Weight: 1872.33 g/mol
• Exact Mass: 1866.20
• IUPAC Name: 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• SMILES: C=C(N)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(NCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(OCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CN(C)CCOc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1
• InChI: InChI=1S/C18H16Cl2N4OS.C18H15Cl2N3O2S.C16H17Cl2N5O.C16H12Cl2N4OS.C13H12Cl2N4O/c1-3-22-8(2)13-6-10-15(23-18(21)24-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;1-3-24-8(2)13-6-10-15(22-18(21)23-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;1-23(2)5-6-24-13-7-9(10(17)8-11(13)18)14-15-12(3-4-20-15)21-16(19)22-14;1-6(19)11-4-8-13(21-16(20)22-15(8)24-11)12-7-2-3-23-14(7)10(18)5-9(12)17;1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14/h6-7,22H,2-5H2,1H3,(H2,21,23,24);6-7H,2-5H2,1H3,(H2,21,22,23);3-4,7-8,20H,5-6H2,1-2H3,(H2,19,21,22);4-5H,1-3,19H2,(H2,20,21,22);4-5H,2-3H2,1H3,(H3,16,17,18,19)
• InChIKey: GBCUXRAWQDZABR-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 383.49 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.33
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The IUPAC name of 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 158202631) is 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The canonical SMILES for 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine is C=C(N)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(NCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(OCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CN(C)CCOc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.

What is the InChIKey of 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The InChIKey is GBCUXRAWQDZABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4OS.C18H15Cl2N3O2S.C16H17Cl2N5O.C16H12Cl2N4OS.C13H12Cl2N4O/c1-3-22-8(2)13-6-10-15(23-18(21)24-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;1-3-24-8(2)13-6-10-15(22-18(21)23-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;1-23(2)5-6-24-13-7-9(10(17)8-11(13)18)14-15-12(3-4-20-15)21-16(19)22-14;1-6(19)11-4-8-13(21-16(20)22-15(8)24-11)12-7-2-3-23-14(7)10(18)5-9(12)17;1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14/h6-7,22H,2-5H2,1H3,(H2,21,23,24);6-7H,2-5H2,1H3,(H2,21,22,23);3-4,7-8,20H,5-6H2,1-2H3,(H2,19,21,22);4-5H,1-3,19H2,(H2,20,21,22);4-5H,2-3H2,1H3,(H3,16,17,18,19).

What are the key properties of 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 1872.33 g/mol, XLogP of 20.53, 17 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-[2,4-dichloro-5-[2-(dimethylamino)ethoxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 158202631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).