2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

C70H55N21O4S3 — CID 158620943

IUPAC2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1OC.Cc1ccc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1.c1cnc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1
InChIInChI=1S/C25H19N7OS.C23H16N8OS.C22H20N6O2S/c1-15-2-6-20(14-26-15)33-19-7-3-17(4-8-19)29-25-30-22-10-11-34-23(22)24(31-25)28-18-5-9-21-16(12-18)13-27-32-21;1-4-17(32-20-13-24-8-9-25-20)5-2-15(1)28-23-29-19-7-10-33-21(19)22(30-23)27-16-3-6-18-14(11-16)12-26-31-18;1-29-18-6-3-13(9-19(18)30-2)11-23-22-26-17-7-8-31-20(17)21(27-22)25-15-4-5-16-14(10-15)12-24-28-16/h2-14H,1H3,(H,27,32)(H2,28,29,30,31);1-13H,(H,26,31)(H2,27,28,29,30);3-10,12H,11H2,1-2H3,(H,24,28)(H2,23,25,26,27)
InChIKeyHXZDNZJXXCSKIU-UHFFFAOYSA-N
MW1350.55 g/mol
LogP17.13
Rot. Bonds19

About 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158620943) has the molecular formula C70H55N21O4S3 and a molecular weight of 1350.55 g/mol. Its IUPAC name is 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID158620943
Molecular FormulaC70H55N21O4S3
Molecular Weight1350.55 g/mol
Exact Mass1349.39
IUPAC Name2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1OC.Cc1ccc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1.c1cnc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1
InChIInChI=1S/C25H19N7OS.C23H16N8OS.C22H20N6O2S/c1-15-2-6-20(14-26-15)33-19-7-3-17(4-8-19)29-25-30-22-10-11-34-23(22)24(31-25)28-18-5-9-21-16(12-18)13-27-32-21;1-4-17(32-20-13-24-8-9-25-20)5-2-15(1)28-23-29-19-7-10-33-21(19)22(30-23)27-16-3-6-18-14(11-16)12-26-31-18;1-29-18-6-3-13(9-19(18)30-2)11-23-22-26-17-7-8-31-20(17)21(27-22)25-15-4-5-16-14(10-15)12-24-28-16/h2-14H,1H3,(H,27,32)(H2,28,29,30,31);1-13H,(H,26,31)(H2,27,28,29,30);3-10,12H,11H2,1-2H3,(H,24,28)(H2,23,25,26,27)
InChIKeyHXZDNZJXXCSKIU-UHFFFAOYSA-N
XLogP17.13
TPSA311.15 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001350.55
LogP ≤ 517.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)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-(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
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
6,7-dimethoxy-2-methyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 172055246
4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130286
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-hydroxy-5-methylphenyl)urea;1-[4-[3-amino-7-(2-methoxyethoxy)-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea;1-[4-(3-amino-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(4-amino-7-pyridin-4-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 157104748
6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 157346538
2-N-(3,4-dimethoxyphenyl)-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-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 157406954
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-[2-(3-methoxyphenyl)ethyl]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 157553843
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine
CID 157765823
6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 157978407

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 158620943) is 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is COc1ccc(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)cc1OC.Cc1ccc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1.c1cnc(Oc2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)cc2)cn1.
What is the InChIKey of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is HXZDNZJXXCSKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7OS.C23H16N8OS.C22H20N6O2S/c1-15-2-6-20(14-26-15)33-19-7-3-17(4-8-19)29-25-30-22-10-11-34-23(22)24(31-25)28-18-5-9-21-16(12-18)13-27-32-21;1-4-17(32-20-13-24-8-9-25-20)5-2-15(1)28-23-29-19-7-10-33-21(19)22(30-23)27-16-3-6-18-14(11-16)12-26-31-18;1-29-18-6-3-13(9-19(18)30-2)11-23-22-26-17-7-8-31-20(17)21(27-22)25-15-4-5-16-14(10-15)12-24-28-16/h2-14H,1H3,(H,27,32)(H2,28,29,30,31);1-13H,(H,26,31)(H2,27,28,29,30);3-10,12H,11H2,1-2H3,(H,24,28)(H2,23,25,26,27).
What are the key properties of 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1350.55 g/mol, XLogP of 17.13, 19 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-pyrazin-2-yloxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158620943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).