1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

C64H64N8O11S2 — CID 163820323

IUPAC1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C(Cn1c(=O)n(-c2c(C)ccn3ccnc23)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1C(Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
InChIInChI=1S/C33H33N5O5S.C31H31N3O6S/c1-20-13-16-36-17-14-34-29(36)27(20)38-31(39)26-21(2)28(30-35-15-18-42-30)44-32(26)37(33(38)40)19-25(43-22-9-5-4-6-10-22)23-11-7-8-12-24(23)41-3;1-19-8-10-21(11-9-19)34-29(35)26-20(2)27(28-32-14-17-39-28)41-30(26)33(31(34)36)18-25(40-22-12-15-38-16-13-22)23-6-4-5-7-24(23)37-3/h7-8,11-18,22,25H,4-6,9-10,19H2,1-3H3;4-11,14,17,22,25H,12-13,15-16,18H2,1-3H3
InChIKeyNUVGWTIKDMSSEY-UHFFFAOYSA-N
MW1185.39 g/mol
LogP11.66
Rot. Bonds16

About 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione

1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 163820323) has the molecular formula C64H64N8O11S2 and a molecular weight of 1185.39 g/mol. Its IUPAC name is 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID163820323
Molecular FormulaC64H64N8O11S2
Molecular Weight1185.39 g/mol
Exact Mass1184.41
IUPAC Name1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1C(Cn1c(=O)n(-c2c(C)ccn3ccnc23)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1C(Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
InChIInChI=1S/C33H33N5O5S.C31H31N3O6S/c1-20-13-16-36-17-14-34-29(36)27(20)38-31(39)26-21(2)28(30-35-15-18-42-30)44-32(26)37(33(38)40)19-25(43-22-9-5-4-6-10-22)23-11-7-8-12-24(23)41-3;1-19-8-10-21(11-9-19)34-29(35)26-20(2)27(28-32-14-17-39-28)41-30(26)33(31(34)36)18-25(40-22-12-15-38-16-13-22)23-6-4-5-7-24(23)37-3/h7-8,11-18,22,25H,4-6,9-10,19H2,1-3H3;4-11,14,17,22,25H,12-13,15-16,18H2,1-3H3
InChIKeyNUVGWTIKDMSSEY-UHFFFAOYSA-N
XLogP11.66
TPSA203.51 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.39
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 146590824
4-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]benzoic acid
CID 137451665
2-methoxy-3-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]benzoic acid
CID 137451790
3-(2-fluoro-3-methylphenyl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(2-fluoro-5-methylphenyl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;3-(2-methoxy-4-methylphenyl)-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 163885115
2-[1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 160607571
1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(1-methylsulfanylazetidin-3-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 137451914
1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide
CID 153490106
N-methoxy-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N,2-dimethylpropanamide
CID 142432492
3-[[1-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 166568531
tert-butyl 3-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]azetidine-1-carboxylate
CID 137451907
N-ethyl-2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylbutanamide
CID 145320116
2-methyl-2-[5-methyl-1-[(2R)-2-(oxan-4-yloxy)-2-(2-propan-2-yloxyphenyl)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 71570708

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione (CID 163820323) is 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is COc1ccccc1C(Cn1c(=O)n(-c2c(C)ccn3ccnc23)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1C(Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.
What is the InChIKey of 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NUVGWTIKDMSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O5S.C31H31N3O6S/c1-20-13-16-36-17-14-34-29(36)27(20)38-31(39)26-21(2)28(30-35-15-18-42-30)44-32(26)37(33(38)40)19-25(43-22-9-5-4-6-10-22)23-11-7-8-12-24(23)41-3;1-19-8-10-21(11-9-19)34-29(35)26-20(2)27(28-32-14-17-39-28)41-30(26)33(31(34)36)18-25(40-22-12-15-38-16-13-22)23-6-4-5-7-24(23)37-3/h7-8,11-18,22,25H,4-6,9-10,19H2,1-3H3;4-11,14,17,22,25H,12-13,15-16,18H2,1-3H3.
What are the key properties of 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione?
1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 1185.39 g/mol, XLogP of 11.66, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-3-(7-methylimidazo[1,2-a]pyridin-8-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-3-(4-methylphenyl)-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 163820323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).