4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C90H76Cl12N24O6 — CID 158779411

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 158779411) has the molecular formula C90H76Cl12N24O6 and a molecular weight of 2015.20 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• PubChem CID: 158779411
• Molecular Formula: C90H76Cl12N24O6
• Molecular Weight: 2015.20 g/mol
• Exact Mass: 2008.26
• IUPAC Name: 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• SMILES: CCn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.CN(C)CCOc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1Cl.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/C17H20Cl2N4O.C16H14Cl2N4O.C15H12Cl2N4O.C15H10Cl2N4O.C14H10Cl2N4O.C13H10Cl2N4O/c1-23(2)6-7-24-15-8-11(12(18)9-13(15)19)16-10-4-3-5-14(10)21-17(20)22-16;1-2-22-5-3-11-14(22)13(21-16(19)20-11)12-8-4-6-23-15(8)10(18)7-9(12)17;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/h8-9H,3-7H2,1-2H3,(H2,20,21,22);3,5,7H,2,4,6H2,1H3,(H2,19,20,21);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: IQWMEDMXJGVPOF-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 423.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.20
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 158779411) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is CCn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.CN(C)CCOc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1Cl.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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The InChIKey is IQWMEDMXJGVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O.C16H14Cl2N4O.C15H12Cl2N4O.C15H10Cl2N4O.C14H10Cl2N4O.C13H10Cl2N4O/c1-23(2)6-7-24-15-8-11(12(18)9-13(15)19)16-10-4-3-5-14(10)21-17(20)22-16;1-2-22-5-3-11-14(22)13(21-16(19)20-11)12-8-4-6-23-15(8)10(18)7-9(12)17;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/h8-9H,3-7H2,1-2H3,(H2,20,21,22);3,5,7H,2,4,6H2,1H3,(H2,19,20,21);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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[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)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 2015.20 g/mol, XLogP of 21.35, 12 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-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-[2-(dimethylamino)ethoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(2,4-dichloro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 158779411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).