2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C87H75N27S4 — CID 159081078

About 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 159081078) has the molecular formula C87H75N27S4 and a molecular weight of 1627.01 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 159081078
• Molecular Formula: C87H75N27S4
• Molecular Weight: 1627.01 g/mol
• Exact Mass: 1625.56
• IUPAC Name: 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: CN1CCN(c2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)CC1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1ccc2c(c1)CC(Nc1nc(Nc3ccc4[nH]ncc4c3)c3sccc3n1)C2.c1ccc2c(c1)CCCC2Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
• InChI: InChI=1S/C24H24N8S.C23H20N6S.C22H18N6S.C18H13N7S/c1-31-9-11-32(12-10-31)19-5-2-17(3-6-19)27-24-28-21-8-13-33-22(21)23(29-24)26-18-4-7-20-16(14-18)15-25-30-20;1-2-6-17-14(4-1)5-3-7-19(17)26-23-27-20-10-11-30-21(20)22(28-23)25-16-8-9-18-15(12-16)13-24-29-18;1-2-4-14-10-17(9-13(14)3-1)25-22-26-19-7-8-29-20(19)21(27-22)24-16-5-6-18-15(11-16)12-23-28-18;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/h2-8,13-15H,9-12H2,1H3,(H,25,30)(H2,26,27,28,29);1-2,4,6,8-13,19H,3,5,7H2,(H,24,29)(H2,25,26,27,28);1-8,11-12,17H,9-10H2,(H,23,28)(H2,24,25,26,27);1-10H,(H,20,25)(H2,19,21,22,23,24)
• InChIKey: KAVZWPWNUGIGGV-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 333.45 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1627.01
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 159081078) is 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CN1CCN(c2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)CC1.c1cc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1ccc2c(c1)CC(Nc1nc(Nc3ccc4[nH]ncc4c3)c3sccc3n1)C2.c1ccc2c(c1)CCCC2Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.

What is the InChIKey of 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is KAVZWPWNUGIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8S.C23H20N6S.C22H18N6S.C18H13N7S/c1-31-9-11-32(12-10-31)19-5-2-17(3-6-19)27-24-28-21-8-13-33-22(21)23(29-24)26-18-4-7-20-16(14-18)15-25-30-20;1-2-6-17-14(4-1)5-3-7-19(17)26-23-27-20-10-11-30-21(20)22(28-23)25-16-8-9-18-15(12-16)13-24-29-18;1-2-4-14-10-17(9-13(14)3-1)25-22-26-19-7-8-29-20(19)21(27-22)24-16-5-6-18-15(11-16)12-23-28-18;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/h2-8,13-15H,9-12H2,1H3,(H,25,30)(H2,26,27,28,29);1-2,4,6,8-13,19H,3,5,7H2,(H,24,29)(H2,25,26,27,28);1-8,11-12,17H,9-10H2,(H,23,28)(H2,24,25,26,27);1-10H,(H,20,25)(H2,19,21,22,23,24).

What are the key properties of 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1627.01 g/mol, XLogP of 19.95, 17 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]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;4-N-(1H-indazol-5-yl)-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159081078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).