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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C58H50Cl8N16O4S3 — CID 158074432

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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 158074432) has the molecular formula C58H50Cl8N16O4S3 and a molecular weight of 1414.97 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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
• PubChem CID: 158074432
• Molecular Formula: C58H50Cl8N16O4S3
• Molecular Weight: 1414.97 g/mol
• Exact Mass: 1410.09
• 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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.COc1cc(-c2nc(N)nc(SC)n2)c(Cl)cc1Cl
• InChI: InChI=1S/C18H16Cl2N4OS.C16H12Cl2N4OS.C13H12Cl2N4O.C11H10Cl2N4OS/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;1-6(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;1-18-8-3-5(6(12)4-7(8)13)9-15-10(14)17-11(16-9)19-2/h6-7,22H,2-5H2,1H3,(H2,21,23,24);4-5H,1-3,19H2,(H2,20,21,22);4-5H,2-3H2,1H3,(H3,16,17,18,19);3-4H,1-2H3,(H2,14,15,16,17)
• InChIKey: FMEUERQWAHGSTG-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 307.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1414.97
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 158074432) 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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.COc1cc(-c2nc(N)nc(SC)n2)c(Cl)cc1Cl.

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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?

The InChIKey is FMEUERQWAHGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4OS.C16H12Cl2N4OS.C13H12Cl2N4O.C11H10Cl2N4OS/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;1-6(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;1-18-8-3-5(6(12)4-7(8)13)9-15-10(14)17-11(16-9)19-2/h6-7,22H,2-5H2,1H3,(H2,21,23,24);4-5H,1-3,19H2,(H2,20,21,22);4-5H,2-3H2,1H3,(H3,16,17,18,19);3-4H,1-2H3,(H2,14,15,16,17).

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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 1414.97 g/mol, XLogP of 15.04, 11 rotatable bonds, 7 hydrogen bond donors, and 23 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-(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-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 158074432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).