2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C79H63ClN26OS4 — CID 158650544

About 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158650544) has the molecular formula C79H63ClN26OS4 and a molecular weight of 1556.27 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158650544
• Molecular Formula: C79H63ClN26OS4
• Molecular Weight: 1556.27 g/mol
• Exact Mass: 1554.42
• IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: COc1ccccc1CNc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Clc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1ccc(CCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1
• InChI: InChI=1S/C21H18N6OS.C20H17N7S.C19H13ClN6S.C19H15N7S/c1-28-18-5-3-2-4-13(18)11-22-21-25-17-8-9-29-19(17)20(26-21)24-15-6-7-16-14(10-15)12-23-27-16;1-2-8-21-14(3-1)6-9-22-20-25-17-7-10-28-18(17)19(26-20)24-15-4-5-16-13(11-15)12-23-27-16;20-12-1-3-13(4-2-12)23-19-24-16-7-8-27-17(16)18(25-19)22-14-5-6-15-11(9-14)10-21-26-15;1-2-15-13(11-22-26-15)9-14(1)23-18-17-16(5-8-27-17)24-19(25-18)21-10-12-3-6-20-7-4-12/h2-10,12H,11H2,1H3,(H,23,27)(H2,22,24,25,26);1-5,7-8,10-12H,6,9H2,(H,23,27)(H2,22,24,25,26);1-10H,(H,21,26)(H2,22,23,24,25);1-9,11H,10H2,(H,22,26)(H2,21,23,24,25)
• InChIKey: IBMOOYKRXWSIDH-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 349.09 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1556.27
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 158650544) is 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

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

The canonical SMILES for 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine is COc1ccccc1CNc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Clc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1ccc(CCNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1.

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

The InChIKey is IBMOOYKRXWSIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS.C20H17N7S.C19H13ClN6S.C19H15N7S/c1-28-18-5-3-2-4-13(18)11-22-21-25-17-8-9-29-19(17)20(26-21)24-15-6-7-16-14(10-15)12-23-27-16;1-2-8-21-14(3-1)6-9-22-20-25-17-7-10-28-18(17)19(26-20)24-15-4-5-16-13(11-15)12-23-27-16;20-12-1-3-13(4-2-12)23-19-24-16-7-8-27-17(16)18(25-19)22-14-5-6-15-11(9-14)10-21-26-15;1-2-15-13(11-22-26-15)9-14(1)23-18-17-16(5-8-27-17)24-19(25-18)21-10-12-3-6-20-7-4-12/h2-10,12H,11H2,1H3,(H,23,27)(H2,22,24,25,26);1-5,7-8,10-12H,6,9H2,(H,23,27)(H2,22,24,25,26);1-10H,(H,21,26)(H2,22,23,24,25);1-9,11H,10H2,(H,22,26)(H2,21,23,24,25).

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

2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1556.27 g/mol, XLogP of 19.32, 21 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158650544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).