2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C82H65N25OS4 — CID 159205196

About 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 159205196) has the molecular formula C82H65N25OS4 and a molecular weight of 1544.86 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 159205196
• Molecular Formula: C82H65N25OS4
• Molecular Weight: 1544.86 g/mol
• Exact Mass: 1543.47
• IUPAC Name: 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: Cc1cc(C)cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Cc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.N#Cc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.OCCc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1
• InChI: InChI=1S/C21H18N6OS.C21H18N6S.C20H13N7S.C20H16N6S/c28-9-7-13-1-3-15(4-2-13)24-21-25-18-8-10-29-19(18)20(26-21)23-16-5-6-17-14(11-16)12-22-27-17;1-12-7-13(2)9-16(8-12)24-21-25-18-5-6-28-19(18)20(26-21)23-15-3-4-17-14(10-15)11-22-27-17;21-10-12-1-3-14(4-2-12)24-20-25-17-7-8-28-18(17)19(26-20)23-15-5-6-16-13(9-15)11-22-27-16;1-12-2-4-14(5-3-12)23-20-24-17-8-9-27-18(17)19(25-20)22-15-6-7-16-13(10-15)11-21-26-16/h1-6,8,10-12,28H,7,9H2,(H,22,27)(H2,23,24,25,26);3-11H,1-2H3,(H,22,27)(H2,23,24,25,26);1-9,11H,(H,22,27)(H2,23,24,25,26);2-11H,1H3,(H,21,26)(H2,22,23,24,25)
• InChIKey: KPUFJTBKRAJSEA-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 358.10 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1544.86
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 159205196) is 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.Cc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.N#Cc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.OCCc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.

What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is KPUFJTBKRAJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS.C21H18N6S.C20H13N7S.C20H16N6S/c28-9-7-13-1-3-15(4-2-13)24-21-25-18-8-10-29-19(18)20(26-21)23-16-5-6-17-14(11-16)12-22-27-17;1-12-7-13(2)9-16(8-12)24-21-25-18-5-6-28-19(18)20(26-21)23-15-3-4-17-14(10-15)11-22-27-17;21-10-12-1-3-14(4-2-12)24-20-25-17-7-8-28-18(17)19(26-20)23-15-5-6-16-13(9-15)11-22-27-16;1-12-2-4-14(5-3-12)23-20-24-17-8-9-27-18(17)19(25-20)22-15-6-7-16-13(10-15)11-21-26-16/h1-6,8,10-12,28H,7,9H2,(H,22,27)(H2,23,24,25,26);3-11H,1-2H3,(H,22,27)(H2,23,24,25,26);1-9,11H,(H,22,27)(H2,23,24,25,26);2-11H,1H3,(H,21,26)(H2,22,23,24,25).

What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1544.86 g/mol, XLogP of 20.55, 18 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3,5-dimethylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzonitrile;2-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]ethanol;4-N-(1H-indazol-5-yl)-2-N-(4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159205196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).