1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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

C123H130F2N14O22S4 — CID 160941021

About 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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 160941021) has the molecular formula C123H130F2N14O22S4 and a molecular weight of 2322.73 g/mol. Its IUPAC name is 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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 Name: 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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: 160941021
• Molecular Formula: C123H130F2N14O22S4
• Molecular Weight: 2322.73 g/mol
• Exact Mass: 2320.83
• IUPAC Name: 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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
• SMILES: 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.COc1ccccc1C(Cn1c(=O)n(C2CC(F)(F)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2CC(C)(C)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
• InChI: InChI=1S/C33H33N5O5S.C31H31N3O6S.C30H35N3O6S.C29H31F2N3O5S/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;1-18-24-27(34)33(19-15-30(2,3)16-19)29(35)32(28(24)40-25(18)26-31-11-14-38-26)17-23(39-20-9-12-37-13-10-20)21-7-5-6-8-22(21)36-4;1-17-23-26(35)34(18-14-29(30,31)15-18)28(36)33(27(23)40-24(17)25-32-12-13-38-25)16-22(39-19-8-4-3-5-9-19)20-10-6-7-11-21(20)37-2/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;5-8,11,14,19-20,23H,9-10,12-13,15-17H2,1-4H3;6-7,10-13,18-19,22H,3-5,8-9,14-16H2,1-2H3/t;;23-;/m..0./s1
• InChIKey: SUMXNCAOSVVOSQ-HWAUWHQLSA-N
• XLogP: 23.42
• TPSA: 389.72 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.73
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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 160941021) is 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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.COc1ccccc1C(Cn1c(=O)n(C2CC(F)(F)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCCCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2CC(C)(C)C2)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.

What is the InChIKey of 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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 SUMXNCAOSVVOSQ-HWAUWHQLSA-N. The full InChI is InChI=1S/C33H33N5O5S.C31H31N3O6S.C30H35N3O6S.C29H31F2N3O5S/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;1-18-24-27(34)33(19-15-30(2,3)16-19)29(35)32(28(24)40-25(18)26-31-11-14-38-26)17-23(39-20-9-12-37-13-10-20)21-7-5-6-8-22(21)36-4;1-17-23-26(35)34(18-14-29(30,31)15-18)28(36)33(27(23)40-24(17)25-32-12-13-38-25)16-22(39-19-8-4-3-5-9-19)20-10-6-7-11-21(20)37-2/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;5-8,11,14,19-20,23H,9-10,12-13,15-17H2,1-4H3;6-7,10-13,18-19,22H,3-5,8-9,14-16H2,1-2H3/t;;23-;/m..0./s1.

What are the key properties of 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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 2322.73 g/mol, XLogP of 23.42, 32 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-(3,3-difluorocyclobutyl)-5-methyl-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;3-(3,3-dimethylcyclobutyl)-1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-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 160941021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).