bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

C87H86F4N20O10S5 — CID 160742886

IUPACbis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CC(F)(F)CCOc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(C)(F)F)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1
InChIInChI=1S/C18H18F2N4O2S.2C18H18N4O2S.C17H16F2N4O2S.C16H16N4O2S/c1-10-8-27-15-14(10)22-9-23-17(15)24-12-4-3-11(16(21)25)7-13(12)26-6-5-18(2,19)20;2*19-17(23)11-5-6-13(15(9-11)24-12-3-1-2-4-12)22-18-16-14(7-8-25-16)20-10-21-18;1-17(18,19)5-6-25-13-8-10(15(20)24)2-3-11(13)23-16-14-12(4-7-26-14)21-9-22-16;1-9(2)22-13-7-10(15(17)21)3-4-11(13)20-16-14-12(5-6-23-14)18-8-19-16/h3-4,7-9H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24);2*5-10,12H,1-4H2,(H2,19,23)(H,20,21,22);2-4,7-9H,5-6H2,1H3,(H2,20,24)(H,21,22,23);3-9H,1-2H3,(H2,17,21)(H,18,19,20)
InChIKeyRVUYEVGUZWWGEA-UHFFFAOYSA-N
MW1808.10 g/mol
LogP19.26
Rot. Bonds29

About bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (PubChem CID 160742886) has the molecular formula C87H86F4N20O10S5 and a molecular weight of 1808.10 g/mol. Its IUPAC name is bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.

Molecular Properties

Compound Namebis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
PubChem CID160742886
Molecular FormulaC87H86F4N20O10S5
Molecular Weight1808.10 g/mol
Exact Mass1806.54
IUPAC Namebis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CC(F)(F)CCOc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(C)(F)F)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1
InChIInChI=1S/C18H18F2N4O2S.2C18H18N4O2S.C17H16F2N4O2S.C16H16N4O2S/c1-10-8-27-15-14(10)22-9-23-17(15)24-12-4-3-11(16(21)25)7-13(12)26-6-5-18(2,19)20;2*19-17(23)11-5-6-13(15(9-11)24-12-3-1-2-4-12)22-18-16-14(7-8-25-16)20-10-21-18;1-17(18,19)5-6-25-13-8-10(15(20)24)2-3-11(13)23-16-14-12(4-7-26-14)21-9-22-16;1-9(2)22-13-7-10(15(17)21)3-4-11(13)20-16-14-12(5-6-23-14)18-8-19-16/h3-4,7-9H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24);2*5-10,12H,1-4H2,(H2,19,23)(H,20,21,22);2-4,7-9H,5-6H2,1H3,(H2,20,24)(H,21,22,23);3-9H,1-2H3,(H2,17,21)(H,18,19,20)
InChIKeyRVUYEVGUZWWGEA-UHFFFAOYSA-N
XLogP19.26
TPSA450.65 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001808.10
LogP ≤ 519.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide with MolForge

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Related Compounds

4-(Thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
CID 24765264
4-[(7-Methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
CID 24765267
4-[(6-Methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
CID 24765628
3-(3,3-Difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
CID 89933285
3-(3,3-Difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide
CID 89933286
3-Butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-ethoxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
CID 157242528
3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(oxolan-3-yloxy)benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
CID 157444196
3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
CID 157883050
3-butan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-(2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
CID 157956032
3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-cyclopentyloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;N-(2-ethoxy-4-fluorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;3-ethoxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-propan-2-yloxybenzamide;4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
CID 158059642
N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-(1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(2-pyrrolidin-3-yloxyphenyl)thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 158103697
N-(2-ethoxy-4-fluorophenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-propan-2-yloxyphenyl)-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]-6-methylthieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[2-(oxolan-3-yloxy)-4-(1H-1,2,4-triazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 158256976

Frequently Asked Questions

What is the IUPAC name of bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?
The IUPAC name of bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (CID 160742886) is bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.
What is the SMILES notation for bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?
The canonical SMILES for bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is CC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.CC(F)(F)CCOc1cc(C(N)=O)ccc1Nc1ncnc2ccsc12.Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(C)(F)F)ncnc12.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OC2CCCC2)c1.
What is the InChIKey of bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?
The InChIKey is RVUYEVGUZWWGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S.2C18H18N4O2S.C17H16F2N4O2S.C16H16N4O2S/c1-10-8-27-15-14(10)22-9-23-17(15)24-12-4-3-11(16(21)25)7-13(12)26-6-5-18(2,19)20;2*19-17(23)11-5-6-13(15(9-11)24-12-3-1-2-4-12)22-18-16-14(7-8-25-16)20-10-21-18;1-17(18,19)5-6-25-13-8-10(15(20)24)2-3-11(13)23-16-14-12(4-7-26-14)21-9-22-16;1-9(2)22-13-7-10(15(17)21)3-4-11(13)20-16-14-12(5-6-23-14)18-8-19-16/h3-4,7-9H,5-6H2,1-2H3,(H2,21,25)(H,22,23,24);2*5-10,12H,1-4H2,(H2,19,23)(H,20,21,22);2-4,7-9H,5-6H2,1H3,(H2,20,24)(H,21,22,23);3-9H,1-2H3,(H2,17,21)(H,18,19,20).
What are the key properties of bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?
bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide has a molecular weight of 1808.10 g/mol, XLogP of 19.26, 29 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-cyclopentyloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide);3-(3,3-difluorobutoxy)-4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide;3-(3,3-difluorobutoxy)-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;3-propan-2-yloxy-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 160742886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).