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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine

C73H66Cl10N18O6S — CID 161039920

About 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine

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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine (PubChem CID 161039920) has the molecular formula C73H66Cl10N18O6S and a molecular weight of 1678.05 g/mol. Its IUPAC name is 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine.

Molecular Properties

• Compound Name: 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine
• PubChem CID: 161039920
• Molecular Formula: C73H66Cl10N18O6S
• Molecular Weight: 1678.05 g/mol
• Exact Mass: 1672.20
• IUPAC Name: 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine
• SMILES: Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1N.Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2cc(C(=O)NCCN3CCCC3)sc2n1
• InChI: InChI=1S/C21H21Cl2N5O2S.C13H12Cl2N4O.3C13H11Cl2N3O/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;1-5-10(16)11(19-13(17)18-5)9-6-2-3-20-12(6)8(15)4-7(9)14;3*1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);4H,2-3,16H2,1H3,(H2,17,18,19);3*4-5H,2-3H2,1H3,(H2,16,17,18)
• InChIKey: UATAPDOECMUGDB-UHFFFAOYSA-N
• XLogP: 16.69
• TPSA: 363.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1678.05
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	7
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-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine?

The IUPAC name of 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine (CID 161039920) is 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine.

What is the SMILES notation for 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine?

The canonical SMILES for 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine is Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1cc(-c2c(Cl)cc(Cl)c3c2CCO3)nc(N)n1.Cc1nc(N)nc(-c2c(Cl)cc(Cl)c3c2CCO3)c1N.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-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine?

The InChIKey is UATAPDOECMUGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2S.C13H12Cl2N4O.3C13H11Cl2N3O/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;1-5-10(16)11(19-13(17)18-5)9-6-2-3-20-12(6)8(15)4-7(9)14;3*1-6-4-10(18-13(16)17-6)11-7-2-3-19-12(7)9(15)5-8(11)14/h9-10H,1-8H2,(H,25,29)(H2,24,26,27);4H,2-3,16H2,1H3,(H2,17,18,19);3*4-5H,2-3H2,1H3,(H2,16,17,18).

What are the key properties of 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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine?

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;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine has a molecular weight of 1678.05 g/mol, XLogP of 16.69, 9 rotatable bonds, 7 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-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;tris(4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidin-2-amine);4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-6-methylpyrimidine-2,5-diamine is sourced from PubChem (CID 161039920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).