2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

C82H67ClN26OS4 — CID 161487992

About 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 161487992) has the molecular formula C82H67ClN26OS4 and a molecular weight of 1596.34 g/mol. Its IUPAC name is 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 161487992
• Molecular Formula: C82H67ClN26OS4
• Molecular Weight: 1596.34 g/mol
• Exact Mass: 1594.46
• IUPAC Name: 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CC1CCCCC1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Cc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)n1.Clc1ccc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cc1.c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1
• InChI: InChI=1S/C25H17ClN6OS.C20H22N6S.C19H15N7S.C18H13N7S/c26-16-1-6-19(7-2-16)33-20-8-3-17(4-9-20)29-25-30-22-11-12-34-23(22)24(31-25)28-18-5-10-21-15(13-18)14-27-32-21;1-12-4-2-3-5-15(12)23-20-24-17-8-9-27-18(17)19(25-20)22-14-6-7-16-13(10-14)11-21-26-16;1-11-3-2-4-16(21-11)24-19-23-15-7-8-27-17(15)18(25-19)22-13-5-6-14-12(9-13)10-20-26-14;1-2-7-19-15(3-1)23-18-22-14-6-8-26-16(14)17(24-18)21-12-4-5-13-11(9-12)10-20-25-13/h1-14H,(H,27,32)(H2,28,29,30,31);6-12,15H,2-5H2,1H3,(H,21,26)(H2,22,23,24,25);2-10H,1H3,(H,20,26)(H2,21,22,23,24,25);1-10H,(H,20,25)(H2,19,21,22,23,24)
• InChIKey: WFFLIGBPOHSKLW-UHFFFAOYSA-N
• XLogP: 22.01
• TPSA: 349.09 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1596.34
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 161487992) is 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is CC1CCCCC1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Cc1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)n1.Clc1ccc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cc1.c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1.

What is the InChIKey of 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is WFFLIGBPOHSKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN6OS.C20H22N6S.C19H15N7S.C18H13N7S/c26-16-1-6-19(7-2-16)33-20-8-3-17(4-9-20)29-25-30-22-11-12-34-23(22)24(31-25)28-18-5-10-21-15(13-18)14-27-32-21;1-12-4-2-3-5-15(12)23-20-24-17-8-9-27-18(17)19(25-20)22-14-6-7-16-13(10-14)11-21-26-16;1-11-3-2-4-16(21-11)24-19-23-15-7-8-27-17(15)18(25-19)22-13-5-6-14-12(9-13)10-20-26-14;1-2-7-19-15(3-1)23-18-22-14-6-8-26-16(14)17(24-18)21-12-4-5-13-11(9-12)10-20-25-13/h1-14H,(H,27,32)(H2,28,29,30,31);6-12,15H,2-5H2,1H3,(H,21,26)(H2,22,23,24,25);2-10H,1H3,(H,20,26)(H2,21,22,23,24,25);1-10H,(H,20,25)(H2,19,21,22,23,24).

What are the key properties of 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?

2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1596.34 g/mol, XLogP of 22.01, 18 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(4-chlorophenoxy)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-methylcyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methyl-2-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 161487992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).