4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C75H61Cl10N21O5 — CID 159545210

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 159545210) has the molecular formula C75H61Cl10N21O5 and a molecular weight of 1690.98 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• PubChem CID: 159545210
• Molecular Formula: C75H61Cl10N21O5
• Molecular Weight: 1690.98 g/mol
• Exact Mass: 1685.20
• IUPAC Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• SMILES: C=C(NCC)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c2C1.COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.Cn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2[nH]ccc2n1.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2ncccc2n1
• InChI: InChI=1S/C18H19Cl2N5O.C15H12Cl2N4O.C15H10Cl2N4O.C14H10Cl2N4O.C13H10Cl2N4O/c1-3-22-9(2)25-7-11-14(8-25)23-18(21)24-16(11)15-10-4-5-26-17(10)13(20)6-12(15)19;1-21-4-2-10-13(21)12(20-15(18)19-10)11-7-3-5-22-14(7)9(17)6-8(11)16;16-8-6-9(17)14-7(3-5-22-14)11(8)13-12-10(2-1-4-19-12)20-15(18)21-13;15-7-5-8(16)13-6(2-4-21-13)10(7)12-11-9(1-3-18-11)19-14(17)20-12;1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11/h6,22H,2-5,7-8H2,1H3,(H2,21,23,24);2,4,6H,3,5H2,1H3,(H2,18,19,20);1-2,4,6H,3,5H2,(H2,18,20,21);1,3,5,18H,2,4H2,(H2,17,19,20);2-5,17H,1H3,(H2,16,18,19)
• InChIKey: MESGQJOMONFTMA-UHFFFAOYSA-N
• XLogP: 17.31
• TPSA: 369.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1690.98
LogP ≤ 5	17.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 159545210) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is C=C(NCC)N1Cc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c2C1.COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.Cn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2[nH]ccc2n1.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2ncccc2n1.

What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The InChIKey is MESGQJOMONFTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O.C15H12Cl2N4O.C15H10Cl2N4O.C14H10Cl2N4O.C13H10Cl2N4O/c1-3-22-9(2)25-7-11-14(8-25)23-18(21)24-16(11)15-10-4-5-26-17(10)13(20)6-12(15)19;1-21-4-2-10-13(21)12(20-15(18)19-10)11-7-3-5-22-14(7)9(17)6-8(11)16;16-8-6-9(17)14-7(3-5-22-14)11(8)13-12-10(2-1-4-19-12)20-15(18)21-13;15-7-5-8(16)13-6(2-4-21-13)10(7)12-11-9(1-3-18-11)19-14(17)20-12;1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11/h6,22H,2-5,7-8H2,1H3,(H2,21,23,24);2,4,6H,3,5H2,1H3,(H2,18,19,20);1-2,4,6H,3,5H2,(H2,18,20,21);1,3,5,18H,2,4H2,(H2,17,19,20);2-5,17H,1H3,(H2,16,18,19).

What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 1690.98 g/mol, XLogP of 17.31, 9 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)pyrido[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 159545210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).