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

C71H63Cl8N17O6S3 — CID 158802650

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

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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 158802650) has the molecular formula C71H63Cl8N17O6S3 and a molecular weight of 1630.22 g/mol. Its IUPAC name is 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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-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-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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• PubChem CID: 158802650
• Molecular Formula: C71H63Cl8N17O6S3
• Molecular Weight: 1630.22 g/mol
• Exact Mass: 1625.18
• IUPAC Name: 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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
• SMILES: C=C(NC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.Cc1c[nH]c2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc12.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2cc(C(=O)NCCN3CCCC3)sc2n1
• InChI: InChI=1S/C21H21Cl2N5O2S.C18H16Cl2N4O2S.C17H14Cl2N4OS.C15H12Cl2N4O/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;1-2-4-22-16(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;1-7(21-2)12-5-9-14(22-17(20)23-16(9)25-12)13-8-3-4-24-15(8)11(19)6-10(13)18;1-6-5-19-13-11(6)20-15(18)21-12(13)10-7-2-3-22-14(7)9(17)4-8(10)16/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);6-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24);5-6,21H,1,3-4H2,2H3,(H2,20,22,23);4-5,19H,2-3H2,1H3,(H2,18,20,21)
• InChIKey: ITRKIDMZKYJPBZ-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 333.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1630.22
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-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-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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 158802650) is 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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-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-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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-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-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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is C=C(NC)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.CCCNC(=O)c1cc2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc2s1.Cc1c[nH]c2c(-c3c(Cl)cc(Cl)c4c3CCO4)nc(N)nc12.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-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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

The InChIKey is ITRKIDMZKYJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2S.C18H16Cl2N4O2S.C17H14Cl2N4OS.C15H12Cl2N4O/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;1-2-4-22-16(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;1-7(21-2)12-5-9-14(22-17(20)23-16(9)25-12)13-8-3-4-24-15(8)11(19)6-10(13)18;1-6-5-19-13-11(6)20-15(18)21-12(13)10-7-2-3-22-14(7)9(17)4-8(10)16/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);6-7H,2-5H2,1H3,(H,22,25)(H2,21,23,24);5-6,21H,1,3-4H2,2H3,(H2,20,22,23);4-5,19H,2-3H2,1H3,(H2,18,20,21).

What are the key properties of 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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine?

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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 1630.22 g/mol, XLogP of 16.46, 13 rotatable bonds, 8 hydrogen bond donors, and 23 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-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;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-[1-(methylamino)ethenyl]thieno[2,3-d]pyrimidin-2-amine;4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-7-methyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 158802650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).