6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C47H43Cl8N15O5S2 — CID 159571122

About 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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 159571122) has the molecular formula C47H43Cl8N15O5S2 and a molecular weight of 1245.72 g/mol. Its IUPAC name is 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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: 159571122
• Molecular Formula: C47H43Cl8N15O5S2
• Molecular Weight: 1245.72 g/mol
• Exact Mass: 1241.05
• IUPAC Name: 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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: 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.COc1nc(N)nc(-c2cc(OC)c(Cl)cc2Cl)n1
• InChI: InChI=1S/C13H12Cl2N4O.C12H11Cl2N3OS.C11H10Cl2N4O2.C11H10Cl2N4OS/c1-17-10-5-9(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;2*1-18-8-3-5(6(12)4-7(8)13)9-15-10(14)17-11(16-9)19-2/h4-5H,2-3H2,1H3,(H3,16,17,18,19);3-5H,1-2H3,(H2,15,16,17);2*3-4H,1-2H3,(H2,14,15,16,17)
• InChIKey: MHVHMWCZGTVNNF-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 291.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1245.72
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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 159571122) is 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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 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.COc1nc(N)nc(-c2cc(OC)c(Cl)cc2Cl)n1.

What is the InChIKey of 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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 MHVHMWCZGTVNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O.C12H11Cl2N3OS.C11H10Cl2N4O2.C11H10Cl2N4OS/c1-17-10-5-9(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;2*1-18-8-3-5(6(12)4-7(8)13)9-15-10(14)17-11(16-9)19-2/h4-5H,2-3H2,1H3,(H3,16,17,18,19);3-5H,1-2H3,(H2,15,16,17);2*3-4H,1-2H3,(H2,14,15,16,17).

What are the key properties of 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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 1245.72 g/mol, XLogP of 12.38, 11 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;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 159571122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).