1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine

C86H77Cl13N22O9S2 — CID 159674468

About 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine

1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine (PubChem CID 159674468) has the molecular formula C86H77Cl13N22O9S2 and a molecular weight of 2087.73 g/mol. Its IUPAC name is 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine
• PubChem CID: 159674468
• Molecular Formula: C86H77Cl13N22O9S2
• Molecular Weight: 2087.73 g/mol
• Exact Mass: 2080.16
• IUPAC Name: 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine
• SMILES: CCCC(=O)Cn1ccc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc21.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.COc1cc(-c2cc(SC)nc(N)n2)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc(-c3cc(OC)c(Cl)cc3Cl)n2)c(Cl)cc1C.COc1nc(N)nc(-c2cc(OC)c(Cl)cc2Cl)n1.CSc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1
• InChI: InChI=1S/C19H18Cl2N4O2.C18H15Cl3N4O2.C13H12Cl2N4O.C13H11Cl2N3OS.C12H11Cl2N3OS.C11H10Cl2N4O2/c1-2-3-10(26)9-25-6-4-12-16(23-19(22)24-18(12)25)15-11-5-7-27-17(11)14(21)8-13(15)20;1-8-4-11(19)9(5-14(8)26-2)16-23-17(25-18(22)24-16)10-6-15(27-3)13(21)7-12(10)20;1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14;1-20-10-5-9(17-13(16)18-10)11-6-2-3-19-12(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/h4,6,8H,2-3,5,7,9H2,1H3,(H2,22,23,24);4-7H,1-3H3,(H2,22,23,24,25);4-5H,2-3H2,1H3,(H3,16,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18);3-5H,1-2H3,(H2,15,16,17);3-4H,1-2H3,(H2,14,15,16,17)
• InChIKey: MUKMXCFNKXJGLD-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 444.45 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.73
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine?

The IUPAC name of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine (CID 159674468) is 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine.

What is the SMILES notation for 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine?

The canonical SMILES for 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine is CCCC(=O)Cn1ccc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc21.CNc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.COc1cc(-c2cc(SC)nc(N)n2)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc(-c3cc(OC)c(Cl)cc3Cl)n2)c(Cl)cc1C.COc1nc(N)nc(-c2cc(OC)c(Cl)cc2Cl)n1.CSc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.

What is the InChIKey of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine?

The InChIKey is MUKMXCFNKXJGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2.C18H15Cl3N4O2.C13H12Cl2N4O.C13H11Cl2N3OS.C12H11Cl2N3OS.C11H10Cl2N4O2/c1-2-3-10(26)9-25-6-4-12-16(23-19(22)24-18(12)25)15-11-5-7-27-17(11)14(21)8-13(15)20;1-8-4-11(19)9(5-14(8)26-2)16-23-17(25-18(22)24-16)10-6-15(27-3)13(21)7-12(10)20;1-17-10-5-9(18-13(16)19-10)11-6-2-3-20-12(6)8(15)4-7(11)14;1-20-10-5-9(17-13(16)18-10)11-6-2-3-19-12(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/h4,6,8H,2-3,5,7,9H2,1H3,(H2,22,23,24);4-7H,1-3H3,(H2,22,23,24,25);4-5H,2-3H2,1H3,(H3,16,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18);3-5H,1-2H3,(H2,15,16,17);3-4H,1-2H3,(H2,14,15,16,17).

What are the key properties of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine?

1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine has a molecular weight of 2087.73 g/mol, XLogP of 22.27, 19 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]pentan-2-one;4-(2-chloro-5-methoxy-4-methylphenyl)-6-(2,4-dichloro-5-methoxyphenyl)-1,3,5-triazin-2-amine;6-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-4-N-methylpyrimidine-2,4-diamine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylsulfanylpyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-6-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 159674468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).