2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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

C80H71Cl10F2N19O6S2 — CID 157089818

About 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 157089818) has the molecular formula C80H71Cl10F2N19O6S2 and a molecular weight of 1851.23 g/mol. Its IUPAC name is 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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: 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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: 157089818
• Molecular Formula: C80H71Cl10F2N19O6S2
• Molecular Weight: 1851.23 g/mol
• Exact Mass: 1845.21
• IUPAC Name: 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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: C=C(NC1CC1)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CC(F)(F)CNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CN(C)CCOc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1
• InChI: InChI=1S/C19H16Cl2N4OS.C18H14Cl2F2N4O2S.C17H20Cl2N4O.C13H10Cl2N4O.C13H11Cl2N3O/c1-8(23-9-2-3-9)14-6-11-16(24-19(22)25-18(11)27-14)15-10-4-5-26-17(10)13(21)7-12(15)20;1-18(21,22)6-24-15(27)11-4-8-13(25-17(23)26-16(8)29-11)12-7-2-3-28-14(7)10(20)5-9(12)19;1-23(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;1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);8-9H,3-7H2,1-2H3,(H2,20,21,22);2-5,17H,1H3,(H2,16,18,19);4-5H,2-3H2,1H3,(H2,16,17,18)
• InChIKey: AENMIIADGQUNGC-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 365.31 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1851.23
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 157089818) is 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 C=C(NC1CC1)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CC(F)(F)CNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CN(C)CCOc1cc(-c2nc(N)nc3c2CCC3)c(Cl)cc1Cl.COc1cc(-c2nc(N)nc3cc[nH]c23)c(Cl)cc1Cl.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.

What is the InChIKey of 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 AENMIIADGQUNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4OS.C18H14Cl2F2N4O2S.C17H20Cl2N4O.C13H10Cl2N4O.C13H11Cl2N3O/c1-8(23-9-2-3-9)14-6-11-16(24-19(22)25-18(11)27-14)15-10-4-5-26-17(10)13(21)7-12(15)20;1-18(21,22)6-24-15(27)11-4-8-13(25-17(23)26-16(8)29-11)12-7-2-3-28-14(7)10(20)5-9(12)19;1-23(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;1-20-10-4-6(7(14)5-8(10)15)11-12-9(2-3-17-12)18-13(16)19-11;1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);8-9H,3-7H2,1-2H3,(H2,20,21,22);2-5,17H,1H3,(H2,16,18,19);4-5H,2-3H2,1H3,(H2,16,17,18).

What are the key properties of 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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?

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 1851.23 g/mol, XLogP of 19.73, 16 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;6-[1-(cyclopropylamino)ethenyl]-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-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 157089818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).