1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate

C74H59Cl10N19O8 — CID 159181900

About 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate

1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate (PubChem CID 159181900) has the molecular formula C74H59Cl10N19O8 and a molecular weight of 1696.94 g/mol. Its IUPAC name is 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate
• PubChem CID: 159181900
• Molecular Formula: C74H59Cl10N19O8
• Molecular Weight: 1696.94 g/mol
• Exact Mass: 1691.17
• IUPAC Name: 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate
• SMILES: C=Cc1c[nH]c2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc12.CC(=O)n1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.COC(=O)n1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1N
• InChI: InChI=1S/C16H12Cl2N4O3.C16H12Cl2N4O2.C16H12Cl2N4O.C13H12Cl2N4O.C13H11Cl2N3O/c1-24-16(23)22-4-2-10-13(22)12(21-15(19)20-10)11-7-3-5-25-14(7)9(18)6-8(11)17;1-7(23)22-4-2-11-14(22)13(21-16(19)20-11)12-8-3-5-24-15(8)10(18)6-9(12)17;1-2-7-6-20-14-12(7)21-16(19)22-13(14)11-8-3-4-23-15(8)10(18)5-9(11)17;1-5-10(16)11(19-13(17)18-5)9-6-2-3-20-12(6)8(15)4-7(9)14;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h2,4,6H,3,5H2,1H3,(H2,19,20,21);2,4,6H,3,5H2,1H3,(H2,19,20,21);2,5-6,20H,1,3-4H2,(H2,19,21,22);4H,2-3,16H2,1H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18)
• InChIKey: KMZRBADUEZBEKO-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 400.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 6
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1696.94
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate?

The IUPAC name of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate (CID 159181900) is 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate.

What is the SMILES notation for 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate?

The canonical SMILES for 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate is C=Cc1c[nH]c2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc12.CC(=O)n1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.COC(=O)n1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1N.

What is the InChIKey of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate?

The InChIKey is KMZRBADUEZBEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3.C16H12Cl2N4O2.C16H12Cl2N4O.C13H12Cl2N4O.C13H11Cl2N3O/c1-24-16(23)22-4-2-10-13(22)12(21-15(19)20-10)11-7-3-5-25-14(7)9(18)6-8(11)17;1-7(23)22-4-2-11-14(22)13(21-16(19)20-11)12-8-3-5-24-15(8)10(18)6-9(12)17;1-2-7-6-20-14-12(7)21-16(19)22-13(14)11-8-3-4-23-15(8)10(18)5-9(11)17;1-5-10(16)11(19-13(17)18-5)9-6-2-3-20-12(6)8(15)4-7(9)14;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h2,4,6H,3,5H2,1H3,(H2,19,20,21);2,4,6H,3,5H2,1H3,(H2,19,20,21);2,5-6,20H,1,3-4H2,(H2,19,21,22);4H,2-3,16H2,1H3,(H2,17,18,19);4-5H,2-3H2,1H3,(H2,16,17,18).

What are the key properties of 1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate?

1-[2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate has a molecular weight of 1696.94 g/mol, XLogP of 17.34, 6 rotatable bonds, 7 hydrogen bond donors, and 26 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[3,2-d]pyrimidin-5-yl]ethanone;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-ethenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine;methyl 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrrolo[3,2-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 159181900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).