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)thieno[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

C69H51N19O2S4 — CID 161137040

IUPAC4-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)thieno[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
SMILESCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc(Oc2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1.c1cncc(Sc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)c1
InChIInChI=1S/C25H18N6OS.C24H17N7S2.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;1-27-15-5-2-13(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/h1-15H,(H,26,31)(H2,27,28,29,30);1-14H,(H,26,31)(H2,27,28,29,30);2-11H,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyUMXYIJYPXKXYMP-UHFFFAOYSA-N
MW1306.57 g/mol
LogP18.51
Rot. Bonds17

About 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)thieno[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

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)thieno[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 161137040) has the molecular formula C69H51N19O2S4 and a molecular weight of 1306.57 g/mol. Its IUPAC name is 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)thieno[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 Name4-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)thieno[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 CID161137040
Molecular FormulaC69H51N19O2S4
Molecular Weight1306.57 g/mol
Exact Mass1305.34
IUPAC Name4-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)thieno[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
SMILESCOc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1.c1ccc(Oc2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1.c1cncc(Sc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)c1
InChIInChI=1S/C25H18N6OS.C24H17N7S2.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;1-27-15-5-2-13(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/h1-15H,(H,26,31)(H2,27,28,29,30);1-14H,(H,26,31)(H2,27,28,29,30);2-11H,1H3,(H,21,26)(H2,22,23,24,25)
InChIKeyUMXYIJYPXKXYMP-UHFFFAOYSA-N
XLogP18.51
TPSA266.91 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001306.57
LogP ≤ 518.51
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 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)thieno[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 with MolForge

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Related Compounds

2-N-cyclobutyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-fluorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 157457357
2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-naphthalen-1-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 158163783
2-N-[(3,4-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[(3,5-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 158809620
2-N-(4-ethoxyphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 158884512
4-N-(1H-indazol-5-yl)-2-N-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 158942374
2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 160198471
2-N-cyclobutyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-(dimethylamino)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 160542340
2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)thieno[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 161047596
2-N-(4-ethoxyphenyl)-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]phenyl]methanol;4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 161072928
2-N-[3-(dimethylamino)phenyl]-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]cyclohexan-1-ol;5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-methoxyphenol;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 161567788
2-N-[(3,4-difluorophenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[4-(trifluoromethoxy)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 161977211
4-N-(1H-indazol-5-yl)-2-N-(3-methyl-4-pyridin-3-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 10173968

Frequently Asked Questions

What is the IUPAC name of 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)thieno[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 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)thieno[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 161137040) is 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)thieno[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 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)thieno[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 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)thieno[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.c1ccc(Oc2cccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)c2)cc1.c1cncc(Sc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)c1.
What is the InChIKey of 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)thieno[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 UMXYIJYPXKXYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6OS.C24H17N7S2.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;1-27-15-5-2-13(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/h1-15H,(H,26,31)(H2,27,28,29,30);1-14H,(H,26,31)(H2,27,28,29,30);2-11H,1H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 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)thieno[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?
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)thieno[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 1306.57 g/mol, XLogP of 18.51, 17 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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)thieno[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 161137040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).