2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C89H73N27O2S5 — CID 161458958

About 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 161458958) has the molecular formula C89H73N27O2S5 and a molecular weight of 1713.08 g/mol. Its IUPAC name is 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 161458958
• Molecular Formula: C89H73N27O2S5
• Molecular Weight: 1713.08 g/mol
• Exact Mass: 1711.50
• IUPAC Name: 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Cn1nc(C2CC2)cc1Nc1nc2c(c(Nc3ccc4[nH]ncc4c3)n1)SCC2.c1ccc(Oc2cccc(Nc3nc4c(c(Nc5ccc6[nH]ncc6c5)n3)SCC4)c2)cc1.c1cncc(Sc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)c1
• InChI: InChI=1S/C25H20N6OS.C24H17N7S2.C20H20N8S.C20H16N6OS/c1-2-6-19(7-3-1)32-20-8-4-5-17(14-20)28-25-29-22-11-12-33-23(22)24(30-25)27-18-9-10-21-16(13-18)15-26-31-21;1-2-19(14-25-10-1)33-18-6-3-16(4-7-18)28-24-29-21-9-11-32-22(21)23(30-24)27-17-5-8-20-15(12-17)13-26-31-20;1-28-17(9-16(27-28)11-2-3-11)24-20-23-15-6-7-29-18(15)19(25-20)22-13-4-5-14-12(8-13)10-21-26-14;1-27-15-5-2-13(3-6-15)23-20-24-17-8-9-28-18(17)19(25-20)22-14-4-7-16-12(10-14)11-21-26-16/h1-10,13-15H,11-12H2,(H,26,31)(H2,27,28,29,30);1-14H,(H,26,31)(H2,27,28,29,30);4-5,8-11H,2-3,6-7H2,1H3,(H,21,26)(H2,22,23,24,25);2-11H,1H3,(H,21,26)(H2,22,23,24,25)
• InChIKey: WBNSKENLYQTIKK-UHFFFAOYSA-N
• XLogP: 22.04
• TPSA: 363.25 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1713.08
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 161458958) is 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.Cn1nc(C2CC2)cc1Nc1nc2c(c(Nc3ccc4[nH]ncc4c3)n1)SCC2.c1ccc(Oc2cccc(Nc3nc4c(c(Nc5ccc6[nH]ncc6c5)n3)SCC4)c2)cc1.c1cncc(Sc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)c1.

What is the InChIKey of 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is WBNSKENLYQTIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6OS.C24H17N7S2.C20H20N8S.C20H16N6OS/c1-2-6-19(7-3-1)32-20-8-4-5-17(14-20)28-25-29-22-11-12-33-23(22)24(30-25)27-18-9-10-21-16(13-18)15-26-31-21;1-2-19(14-25-10-1)33-18-6-3-16(4-7-18)28-24-29-21-9-11-32-22(21)23(30-24)27-17-5-8-20-15(12-17)13-26-31-20;1-28-17(9-16(27-28)11-2-3-11)24-20-23-15-6-7-29-18(15)19(25-20)22-13-4-5-14-12(8-13)10-21-26-14;1-27-15-5-2-13(3-6-15)23-20-24-17-8-9-28-18(17)19(25-20)22-14-4-7-16-12(10-14)11-21-26-16/h1-10,13-15H,11-12H2,(H,26,31)(H2,27,28,29,30);1-14H,(H,26,31)(H2,27,28,29,30);4-5,8-11H,2-3,6-7H2,1H3,(H,21,26)(H2,22,23,24,25);2-11H,1H3,(H,21,26)(H2,22,23,24,25).

What are the key properties of 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1713.08 g/mol, XLogP of 22.04, 22 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyridin-3-ylsulfanylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 161458958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).