2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine

C78H68Cl8F2N16O7S4 — CID 159035431

About 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 159035431) has the molecular formula C78H68Cl8F2N16O7S4 and a molecular weight of 1791.39 g/mol. Its IUPAC name is 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)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)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine
• PubChem CID: 159035431
• Molecular Formula: C78H68Cl8F2N16O7S4
• Molecular Weight: 1791.39 g/mol
• Exact Mass: 1786.18
• IUPAC Name: 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine
• SMILES: C=C(NC1COC1)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N1CCCC1.C=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N1CCOCC1.CN(CC(C)(F)F)C(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1
• InChI: InChI=1S/C20H18Cl2N4O2S.C20H18Cl2N4OS.C19H16Cl2F2N4O2S.C19H16Cl2N4O2S/c1-10(26-3-6-27-7-4-26)15-8-12-17(24-20(23)25-19(12)29-15)16-11-2-5-28-18(11)14(22)9-13(16)21;1-10(26-5-2-3-6-26)15-8-12-17(24-20(23)25-19(12)28-15)16-11-4-7-27-18(11)14(22)9-13(16)21;1-19(22,23)7-27(2)17(28)12-5-9-14(25-18(24)26-16(9)30-12)13-8-3-4-29-15(8)11(21)6-10(13)20;1-8(23-9-6-26-7-9)14-4-11-16(24-19(22)25-18(11)28-14)15-10-2-3-27-17(10)13(21)5-12(15)20/h8-9H,1-7H2,(H2,23,24,25);8-9H,1-7H2,(H2,23,24,25);5-6H,3-4,7H2,1-2H3,(H2,24,25,26);4-5,9,23H,1-3,6-7H2,(H2,22,24,25)
• InChIKey: JVJZLVYDDUPEEQ-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 301.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1791.39
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	5
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)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)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)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine (CID 159035431) is 2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)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)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)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)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine is C=C(NC1COC1)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.C=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N1CCCC1.C=C(c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1)N1CCOCC1.CN(CC(C)(F)F)C(=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)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine?

The InChIKey is JVJZLVYDDUPEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2S.C20H18Cl2N4OS.C19H16Cl2F2N4O2S.C19H16Cl2N4O2S/c1-10(26-3-6-27-7-4-26)15-8-12-17(24-20(23)25-19(12)29-15)16-11-2-5-28-18(11)14(22)9-13(16)21;1-10(26-5-2-3-6-26)15-8-12-17(24-20(23)25-19(12)28-15)16-11-4-7-27-18(11)14(22)9-13(16)21;1-19(22,23)7-27(2)17(28)12-5-9-14(25-18(24)26-16(9)30-12)13-8-3-4-29-15(8)11(21)6-10(13)20;1-8(23-9-6-26-7-9)14-4-11-16(24-19(22)25-18(11)28-14)15-10-2-3-27-17(10)13(21)5-12(15)20/h8-9H,1-7H2,(H2,23,24,25);8-9H,1-7H2,(H2,23,24,25);5-6H,3-4,7H2,1-2H3,(H2,24,25,26);4-5,9,23H,1-3,6-7H2,(H2,22,24,25).

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

2-amino-4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-N-(2,2-difluoropropyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 1791.39 g/mol, XLogP of 18.78, 14 rotatable bonds, 5 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)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-morpholin-4-ylethenyl)thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(oxetan-3-ylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-(1-pyrrolidin-1-ylethenyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 159035431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).