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

C73H62Cl8F2N16O7S4 — CID 158361338

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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 (PubChem CID 158361338) has the molecular formula C73H62Cl8F2N16O7S4 and a molecular weight of 1725.29 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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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.

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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
• PubChem CID: 158361338
• Molecular Formula: C73H62Cl8F2N16O7S4
• Molecular Weight: 1725.29 g/mol
• Exact Mass: 1720.13
• 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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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
• 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.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1
• InChI: InChI=1S/C19H16Cl2N4OS.C18H14Cl2F2N4O2S.2C18H16Cl2N4O2S/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;2*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/h6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);2*6-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24)
• InChIKey: GTMUOLOOAPYJLU-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 343.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1725.29
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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?

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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 (CID 158361338) 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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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.

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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?

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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 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.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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?

The InChIKey is GTMUOLOOAPYJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4OS.C18H14Cl2F2N4O2S.2C18H16Cl2N4O2S/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;2*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/h6-7,9,23H,1-5H2,(H2,22,24,25);4-5H,2-3,6H2,1H3,(H,24,27)(H2,23,25,26);2*6-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24).

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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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?

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)thieno[2,3-d]pyrimidine-6-carboxamide;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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 has a molecular weight of 1725.29 g/mol, XLogP of 18.12, 16 rotatable bonds, 8 hydrogen bond donors, and 24 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;bis(2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-propylthieno[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 is sourced from PubChem (CID 158361338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).