N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C78H70N14O4S3 — CID 159116736

IUPACN-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2cccc(C)n2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2ccccn2)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccc(OC)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C27H24N4OS.C26H25N5O2S.C25H21N5OS/c1-18-10-9-15-21(29-18)25-30-26(28-16-17-32-2)23-22(19-11-5-3-6-12-19)24(33-27(23)31-25)20-13-7-4-8-14-20;1-31-15-13-28-25(31)24-29-23(27-14-16-32-2)21-20(17-7-5-4-6-8-17)22(34-26(21)30-24)18-9-11-19(33-3)12-10-18;1-31-16-15-28-24-21-20(18-11-5-7-13-26-18)22(17-9-3-2-4-10-17)32-25(21)30-23(29-24)19-12-6-8-14-27-19/h3-15H,16-17H2,1-2H3,(H,28,30,31);4-13,15H,14,16H2,1-3H3,(H,27,29,30);2-14H,15-16H2,1H3,(H,28,29,30)
InChIKeyKFEJVDVBUVRCNJ-UHFFFAOYSA-N
MW1363.71 g/mol
LogP17.49
Rot. Bonds22

About N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 159116736) has the molecular formula C78H70N14O4S3 and a molecular weight of 1363.71 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID159116736
Molecular FormulaC78H70N14O4S3
Molecular Weight1363.71 g/mol
Exact Mass1362.49
IUPAC NameN-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(-c2cccc(C)n2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2ccccn2)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccc(OC)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C27H24N4OS.C26H25N5O2S.C25H21N5OS/c1-18-10-9-15-21(29-18)25-30-26(28-16-17-32-2)23-22(19-11-5-3-6-12-19)24(33-27(23)31-25)20-13-7-4-8-14-20;1-31-15-13-28-25(31)24-29-23(27-14-16-32-2)21-20(17-7-5-4-6-8-17)22(34-26(21)30-24)18-9-11-19(33-3)12-10-18;1-31-16-15-28-24-21-20(18-11-5-7-13-26-18)22(17-9-3-2-4-10-17)32-25(21)30-23(29-24)19-12-6-8-14-27-19/h3-15H,16-17H2,1-2H3,(H,28,30,31);4-13,15H,14,16H2,1-3H3,(H,27,29,30);2-14H,15-16H2,1H3,(H,28,29,30)
InChIKeyKFEJVDVBUVRCNJ-UHFFFAOYSA-N
XLogP17.49
TPSA206.84 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001363.71
LogP ≤ 517.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 18142744
2-[6-amino-4-[2-(1-methylimidazol-2-yl)-6-phenyl-7-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]oxypyridin-2-yl]-N-(2-methoxyethyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine
CID 142506349
N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 142506491
6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 161297991
(E)-4-[(3S)-3-fluoro-4-[[[(E)-4-[3-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]-4-oxobut-2-enyl]-methylamino]methyl]pyrrolidin-1-yl]-1-[3-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]but-2-en-1-one
CID 167459335
2-(4-methylphenoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine;6-(4-methylsulfanylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;6-(4-methylsulfinylphenyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine;6-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]pyridine;4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide
CID 167591361
5-cyclohexa-2,4-dien-1-ylidene-6-(4-methoxycyclohexa-2,4-dien-1-ylidene)-N-(2-methoxyethyl)-2-[1-[[2-(1-methylimidazol-2-yl)-7-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]oxymethyl]imidazol-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 171932481
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
CID 117082757
4-Amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 87963933
5-(3-Methoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine;5-pyridin-4-yl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579781
5-[2-[4-[(2-amino-3-phenylpropyl)amino]-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-7-yl]-4-methylphenoxy]-3-N-[6-methyl-7-(2-methyl-3-pyridinyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-1-phenylhexane-2,3-diamine
CID 123312522
N-(1,1-dioxothiolan-3-yl)-5-phenyl-2-[6-[1-[2-[4-[5-phenyl-2-[6-[1-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]oxy-2-pyridinyl]thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidin-2-yl]-2-pyridinyl]thieno[2,3-d]pyrimidin-4-amine
CID 129301244

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 159116736) is N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is COCCNc1nc(-c2cccc(C)n2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2ccccn2)nc2sc(-c3ccccc3)c(-c3ccccn3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccc(OC)cc3)c(-c3ccccc3)c12.
What is the InChIKey of N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KFEJVDVBUVRCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4OS.C26H25N5O2S.C25H21N5OS/c1-18-10-9-15-21(29-18)25-30-26(28-16-17-32-2)23-22(19-11-5-3-6-12-19)24(33-27(23)31-25)20-13-7-4-8-14-20;1-31-15-13-28-25(31)24-29-23(27-14-16-32-2)21-20(17-7-5-4-6-8-17)22(34-26(21)30-24)18-9-11-19(33-3)12-10-18;1-31-16-15-28-24-21-20(18-11-5-7-13-26-18)22(17-9-3-2-4-10-17)32-25(21)30-23(29-24)19-12-6-8-14-27-19/h3-15H,16-17H2,1-2H3,(H,28,30,31);4-13,15H,14,16H2,1-3H3,(H,27,29,30);2-14H,15-16H2,1H3,(H,28,29,30).
What are the key properties of N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1363.71 g/mol, XLogP of 17.49, 22 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-6-phenyl-2,5-dipyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159116736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).