4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine

C79H67Cl8F2N19O6S2 — CID 157270478

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

4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 157270478) has the molecular formula C79H67Cl8F2N19O6S2 and a molecular weight of 1764.29 g/mol. Its IUPAC name is 4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine
• PubChem CID: 157270478
• Molecular Formula: C79H67Cl8F2N19O6S2
• Molecular Weight: 1764.29 g/mol
• Exact Mass: 1759.24
• IUPAC Name: 4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine
• SMILES: C=C(NCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(OCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1F.COc1cc(-c2nc(N)nc3ccn(C)c23)c(Cl)cc1F
• InChI: InChI=1S/C18H16Cl2N4OS.C18H15Cl2N3O2S.C16H14Cl2N4O.C14H12ClFN4O.C13H10ClFN4O/c1-3-22-8(2)13-6-10-15(23-18(21)24-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;1-3-24-8(2)13-6-10-15(22-18(21)23-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;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;1-20-4-3-10-13(20)12(19-14(17)18-10)7-5-11(21-2)9(16)6-8(7)15;1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11/h6-7,22H,2-5H2,1H3,(H2,21,23,24);6-7H,2-5H2,1H3,(H2,21,22,23);3,5,7H,2,4,6H2,1H3,(H2,19,20,21);3-6H,1-2H3,(H2,17,18,19);2-5,17H,1H3,(H2,16,18,19)
• InChIKey: AYMBQBKJVWCWHI-UHFFFAOYSA-N
• XLogP: 19.92
• TPSA: 352.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.29
LogP ≤ 5	19.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine (CID 157270478) is 4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine.

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

The canonical SMILES for 4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine is C=C(NCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(OCC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1F.COc1cc(-c2nc(N)nc3ccn(C)c23)c(Cl)cc1F.

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

The InChIKey is AYMBQBKJVWCWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4OS.C18H15Cl2N3O2S.C16H14Cl2N4O.C14H12ClFN4O.C13H10ClFN4O/c1-3-22-8(2)13-6-10-15(23-18(21)24-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;1-3-24-8(2)13-6-10-15(22-18(21)23-17(10)26-13)14-9-4-5-25-16(9)12(20)7-11(14)19;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;1-20-4-3-10-13(20)12(19-14(17)18-10)7-5-11(21-2)9(16)6-8(7)15;1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11/h6-7,22H,2-5H2,1H3,(H2,21,23,24);6-7H,2-5H2,1H3,(H2,21,22,23);3,5,7H,2,4,6H2,1H3,(H2,19,20,21);3-6H,1-2H3,(H2,17,18,19);2-5,17H,1H3,(H2,16,18,19).

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

4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 1764.29 g/mol, XLogP of 19.92, 14 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-fluoro-5-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine;4-(2-chloro-4-fluoro-5-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-ethoxyethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(ethylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-ethylpyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 157270478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).