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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C82H65Cl10F2N19O6S3 — CID 162232428

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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 162232428) has the molecular formula C82H65Cl10F2N19O6S3 and a molecular weight of 1901.28 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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• PubChem CID: 162232428
• Molecular Formula: C82H65Cl10F2N19O6S3
• Molecular Weight: 1901.28 g/mol
• Exact Mass: 1895.14
• 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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• SMILES: C=C(N)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.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.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2[nH]ccc2n1.Nc1nc2c(c(-c3c(Cl)cc(Cl)c4c3CCO4)n1)CCC2
• InChI: InChI=1S/C19H16Cl2N4OS.C18H14Cl2F2N4O2S.C16H12Cl2N4OS.C15H13Cl2N3O.C14H10Cl2N4O/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;1-6(19)11-4-8-13(21-16(20)22-15(8)24-11)12-7-2-3-23-14(7)10(18)5-9(12)17;16-9-6-10(17)14-8(4-5-21-14)12(9)13-7-2-1-3-11(7)19-15(18)20-13;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/h6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);4-5H,1-3,19H2,(H2,20,21,22);6H,1-5H2,(H2,18,19,20);1,3,5,18H,2,4H2,(H2,17,19,20)
• InChIKey: ZVPLQJVHEFKGKH-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 388.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.28
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 162232428) 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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is C=C(N)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.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.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2[nH]ccc2n1.Nc1nc2c(c(-c3c(Cl)cc(Cl)c4c3CCO4)n1)CCC2.

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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The InChIKey is ZVPLQJVHEFKGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4OS.C18H14Cl2F2N4O2S.C16H12Cl2N4OS.C15H13Cl2N3O.C14H10Cl2N4O/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;1-6(19)11-4-8-13(21-16(20)22-15(8)24-11)12-7-2-3-23-14(7)10(18)5-9(12)17;16-9-6-10(17)14-8(4-5-21-14)12(9)13-7-2-1-3-11(7)19-15(18)20-13;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/h6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);4-5H,1-3,19H2,(H2,20,21,22);6H,1-5H2,(H2,18,19,20);1,3,5,18H,2,4H2,(H2,17,19,20).

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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 1901.28 g/mol, XLogP of 20.49, 12 rotatable bonds, 9 hydrogen bond donors, and 26 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-aminoethenyl)-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)thieno[2,3-d]pyrimidin-2-amine;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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 162232428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).