2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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

C84H73ClN28OS4 — CID 158910887

About 2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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 158910887) has the molecular formula C84H73ClN28OS4 and a molecular weight of 1654.42 g/mol. Its IUPAC name is 2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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: 158910887
• Molecular Formula: C84H73ClN28OS4
• Molecular Weight: 1654.42 g/mol
• Exact Mass: 1652.51
• IUPAC Name: 2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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: CCN(CC)c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1Cl.c1cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cncc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1
• InChI: InChI=1S/C23H22ClN7S.C23H21N7OS.2C19H15N7S/c1-3-31(4-2)20-8-6-16(12-17(20)24)27-23-28-19-9-10-32-21(19)22(29-23)26-15-5-7-18-14(11-15)13-25-30-18;1-4-18(30-8-10-31-11-9-30)5-2-16(1)26-23-27-20-7-12-32-21(20)22(28-23)25-17-3-6-19-15(13-17)14-24-29-19;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;1-2-12(9-20-6-1)10-21-19-24-16-5-7-27-17(16)18(25-19)23-14-3-4-15-13(8-14)11-22-26-15/h5-13H,3-4H2,1-2H3,(H,25,30)(H2,26,27,28,29);1-7,12-14H,8-11H2,(H,24,29)(H2,25,26,27,28);2*1-9,11H,10H2,(H,22,26)(H2,21,23,24,25)
• InChIKey: JGPZOJIGZHIJJN-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 355.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1654.42
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

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-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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 158910887) is 2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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 CCN(CC)c1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1Cl.c1cc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)ccn1.c1cc2nc(Nc3ccc(N4CCOCC4)cc3)nc(Nc3ccc4[nH]ncc4c3)c2s1.c1cncc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)c1.

What is the InChIKey of 2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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 JGPZOJIGZHIJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7S.C23H21N7OS.2C19H15N7S/c1-3-31(4-2)20-8-6-16(12-17(20)24)27-23-28-19-9-10-32-21(19)22(29-23)26-15-5-7-18-14(11-15)13-25-30-18;1-4-18(30-8-10-31-11-9-30)5-2-16(1)26-23-27-20-7-12-32-21(20)22(28-23)25-17-3-6-19-15(13-17)14-24-29-19;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;1-2-12(9-20-6-1)10-21-19-24-16-5-7-27-17(16)18(25-19)23-14-3-4-15-13(8-14)11-22-26-15/h5-13H,3-4H2,1-2H3,(H,25,30)(H2,26,27,28,29);1-7,12-14H,8-11H2,(H,24,29)(H2,25,26,27,28);2*1-9,11H,10H2,(H,22,26)(H2,21,23,24,25).

What are the key properties of 2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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 1654.42 g/mol, XLogP of 20.08, 22 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[3-chloro-4-(diethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-3-ylmethyl)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 158910887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).