2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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

C92H79Cl10F2N21O8S5 — CID 161288808

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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 (PubChem CID 161288808) has the molecular formula C92H79Cl10F2N21O8S5 and a molecular weight of 2159.64 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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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.

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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
• PubChem CID: 161288808
• Molecular Formula: C92H79Cl10F2N21O8S5
• Molecular Weight: 2159.64 g/mol
• Exact Mass: 2153.19
• 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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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
• 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.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2cc(C(=O)NCCN3CCCC3)sc2n1
• InChI: InChI=1S/C21H21Cl2N5O2S.C19H16Cl2N4OS.C18H14Cl2F2N4O2S.C18H16Cl2N4O2S.C16H12Cl2N4OS/c22-13-10-14(23)18-11(3-8-30-18)16(13)17-12-9-15(31-20(12)27-21(24)26-17)19(29)25-4-7-28-5-1-2-6-28;1-8(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;1-2-4-22-16(25)12-6-9-14(23-18(21)24-17(9)27-12)13-8-3-5-26-15(8)11(20)7-10(13)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/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);6-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24);4-5H,1-3,19H2,(H2,20,21,22)
• InChIKey: VGBOKAMUDYHNMS-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 433.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.64
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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?

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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 (CID 161288808) 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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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.

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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?

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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 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.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2cc(C(=O)NCCN3CCCC3)sc2n1.

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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?

The InChIKey is VGBOKAMUDYHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2S.C19H16Cl2N4OS.C18H14Cl2F2N4O2S.C18H16Cl2N4O2S.C16H12Cl2N4OS/c22-13-10-14(23)18-11(3-8-30-18)16(13)17-12-9-15(31-20(12)27-21(24)26-17)19(29)25-4-7-28-5-1-2-6-28;1-8(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;1-2-4-22-16(25)12-6-9-14(23-18(21)24-17(9)27-12)13-8-3-5-26-15(8)11(20)7-10(13)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/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);6-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24);4-5H,1-3,19H2,(H2,20,21,22).

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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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?

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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 has a molecular weight of 2159.64 g/mol, XLogP of 21.91, 19 rotatable bonds, 10 hydrogen bond donors, and 31 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;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[2,3-d]pyrimidine-6-carboxamide;2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2-pyrrolidin-1-ylethyl)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 is sourced from PubChem (CID 161288808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).