2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine

C86H67Cl2N25OS4 — CID 157472631

About 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 157472631) has the molecular formula C86H67Cl2N25OS4 and a molecular weight of 1665.83 g/mol. Its IUPAC name is 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 157472631
• Molecular Formula: C86H67Cl2N25OS4
• Molecular Weight: 1665.83 g/mol
• Exact Mass: 1663.42
• IUPAC Name: 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: COc1cccc(CCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Clc1cc(Cl)cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1ccc(-c2cccc(CNc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1
• InChI: InChI=1S/C26H20N6S.C22H20N6OS.C20H14Cl2N6S.C18H13N7S/c1-2-6-18(7-3-1)19-8-4-5-17(13-19)15-27-26-30-23-11-12-33-24(23)25(31-26)29-21-9-10-22-20(14-21)16-28-32-22;1-29-17-4-2-3-14(11-17)7-9-23-22-26-19-8-10-30-20(19)21(27-22)25-16-5-6-18-15(12-16)13-24-28-18;21-13-5-11(6-14(22)8-13)9-23-20-26-17-3-4-29-18(17)19(27-20)25-15-1-2-16-12(7-15)10-24-28-16;1-2-14-11(10-20-25-14)9-13(1)21-17-16-15(5-8-26-16)23-18(24-17)22-12-3-6-19-7-4-12/h1-14,16H,15H2,(H,28,32)(H2,27,29,30,31);2-6,8,10-13H,7,9H2,1H3,(H,24,28)(H2,23,25,26,27);1-8,10H,9H2,(H,24,28)(H2,23,25,26,27);1-10H,(H,20,25)(H2,19,21,22,23,24)
• InChIKey: BVFLJLSHVPOSRL-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 336.20 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.83
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 157472631) is 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine is COc1cccc(CCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Clc1cc(Cl)cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1ccc(-c2cccc(CNc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1.

What is the InChIKey of 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is BVFLJLSHVPOSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6S.C22H20N6OS.C20H14Cl2N6S.C18H13N7S/c1-2-6-18(7-3-1)19-8-4-5-17(13-19)15-27-26-30-23-11-12-33-24(23)25(31-26)29-21-9-10-22-20(14-21)16-28-32-22;1-29-17-4-2-3-14(11-17)7-9-23-22-26-19-8-10-30-20(19)21(27-22)25-16-5-6-18-15(12-16)13-24-28-18;21-13-5-11(6-14(22)8-13)9-23-20-26-17-3-4-29-18(17)19(27-20)25-15-1-2-16-12(7-15)10-24-28-16;1-2-14-11(10-20-25-14)9-13(1)21-17-16-15(5-8-26-16)23-18(24-17)22-12-3-6-19-7-4-12/h1-14,16H,15H2,(H,28,32)(H2,27,29,30,31);2-6,8,10-13H,7,9H2,1H3,(H,24,28)(H2,23,25,26,27);1-8,10H,9H2,(H,24,28)(H2,23,25,26,27);1-10H,(H,20,25)(H2,19,21,22,23,24).

What are the key properties of 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine?

2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1665.83 g/mol, XLogP of 22.24, 22 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(3,5-dichlorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[2-(3-methoxyphenyl)ethyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(3-phenylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-pyridin-4-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 157472631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).