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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C67H60Cl10N18O5S3 — CID 158133208

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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 158133208) has the molecular formula C67H60Cl10N18O5S3 and a molecular weight of 1648.07 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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
• PubChem CID: 158133208
• Molecular Formula: C67H60Cl10N18O5S3
• Molecular Weight: 1648.07 g/mol
• Exact Mass: 1642.10
• 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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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.CCc1c(C)nc(N)nc1-c1c(Cl)cc(Cl)c2c1CCO2.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.COc1cc(-c2cc(SC)nc(N)n2)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc(SC)n2)c(Cl)cc1Cl
• InChI: InChI=1S/C16H12Cl2N4OS.C15H15Cl2N3O.C13H12Cl2N4O.C12H11Cl2N3OS.C11H10Cl2N4OS/c1-6(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;1-3-8-7(2)19-15(18)20-13(8)12-9-4-5-21-14(9)11(17)6-10(12)16;1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14;1-18-10-3-6(7(13)4-8(10)14)9-5-11(19-2)17-12(15)16-9;1-18-8-3-5(6(12)4-7(8)13)9-15-10(14)17-11(16-9)19-2/h4-5H,1-3,19H2,(H2,20,21,22);6H,3-5H2,1-2H3,(H2,18,19,20);4-5H,2-3H2,1H3,(H3,16,17,18,19);3-5H,1-2H3,(H2,15,16,17);3-4H,1-2H3,(H2,14,15,16,17)
• InChIKey: FTAMGTRXNHZNQN-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 356.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1648.07
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 158133208) 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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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.CCc1c(C)nc(N)nc1-c1c(Cl)cc(Cl)c2c1CCO2.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.COc1cc(-c2cc(SC)nc(N)n2)c(Cl)cc1Cl.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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?

The InChIKey is FTAMGTRXNHZNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4OS.C15H15Cl2N3O.C13H12Cl2N4O.C12H11Cl2N3OS.C11H10Cl2N4OS/c1-6(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;1-3-8-7(2)19-15(18)20-13(8)12-9-4-5-21-14(9)11(17)6-10(12)16;1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14;1-18-10-3-6(7(13)4-8(10)14)9-5-11(19-2)17-12(15)16-9;1-18-8-3-5(6(12)4-7(8)13)9-15-10(14)17-11(16-9)19-2/h4-5H,1-3,19H2,(H2,20,21,22);6H,3-5H2,1-2H3,(H2,18,19,20);4-5H,2-3H2,1H3,(H3,16,17,18,19);3-5H,1-2H3,(H2,15,16,17);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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 1648.07 g/mol, XLogP of 17.88, 12 rotatable bonds, 7 hydrogen bond donors, and 26 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)-5-ethyl-6-methylpyrimidin-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-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 158133208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).