2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C88H75N27O2S5 — CID 157118801

About 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 157118801) has the molecular formula C88H75N27O2S5 and a molecular weight of 1703.09 g/mol. Its IUPAC name is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 157118801
• Molecular Formula: C88H75N27O2S5
• Molecular Weight: 1703.09 g/mol
• Exact Mass: 1701.52
• IUPAC Name: 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCN1CCCC1CNc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Cc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2ccccc2n1.NS(=O)(=O)c1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc(-c2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1
• InChI: InChI=1S/C25H18N6S.C23H17N7S.C20H17N7O2S2.C20H23N7S/c1-2-5-16(6-3-1)17-7-4-8-19(13-17)28-25-29-22-11-12-32-23(22)24(30-25)27-20-9-10-21-18(14-20)15-26-31-21;1-13-10-20(16-4-2-3-5-18(16)25-13)28-23-27-19-8-9-31-21(19)22(29-23)26-15-6-7-17-14(11-15)12-24-30-17;21-31(28,29)15-4-1-12(2-5-15)10-22-20-25-17-7-8-30-18(17)19(26-20)24-14-3-6-16-13(9-14)11-23-27-16;1-2-27-8-3-4-15(27)12-21-20-24-17-7-9-28-18(17)19(25-20)23-14-5-6-16-13(10-14)11-22-26-16/h1-15H,(H,26,31)(H2,27,28,29,30);2-12H,1H3,(H,24,30)(H2,25,26,27,28,29);1-9,11H,10H2,(H,23,27)(H2,21,28,29)(H2,22,24,25,26);5-7,9-11,15H,2-4,8,12H2,1H3,(H,22,26)(H2,21,23,24,25)
• InChIKey: AHSHVYKNPNBQPX-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 390.37 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1703.09
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 157118801) is 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is CCN1CCCC1CNc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Cc1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c2ccccc2n1.NS(=O)(=O)c1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc(-c2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1.

What is the InChIKey of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is AHSHVYKNPNBQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6S.C23H17N7S.C20H17N7O2S2.C20H23N7S/c1-2-5-16(6-3-1)17-7-4-8-19(13-17)28-25-29-22-11-12-32-23(22)24(30-25)27-20-9-10-21-18(14-20)15-26-31-21;1-13-10-20(16-4-2-3-5-18(16)25-13)28-23-27-19-8-9-31-21(19)22(29-23)26-15-6-7-17-14(11-15)12-24-30-17;21-31(28,29)15-4-1-12(2-5-15)10-22-20-25-17-7-8-30-18(17)19(26-20)24-14-3-6-16-13(9-14)11-23-27-16;1-2-27-8-3-4-15(27)12-21-20-24-17-7-9-28-18(17)19(25-20)23-14-5-6-16-13(10-14)11-22-26-16/h1-15H,(H,26,31)(H2,27,28,29,30);2-12H,1H3,(H,24,30)(H2,25,26,27,28,29);1-9,11H,10H2,(H,23,27)(H2,21,28,29)(H2,22,24,25,26);5-7,9-11,15H,2-4,8,12H2,1H3,(H,22,26)(H2,21,23,24,25).

What are the key properties of 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1703.09 g/mol, XLogP of 20.41, 21 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(1-ethylpyrrolidin-2-yl)methyl]-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]methyl]benzenesulfonamide;4-N-(1H-indazol-5-yl)-2-N-(2-methylquinolin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 157118801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).