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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione

C125H130F2N12O26S4 — CID 159099036

About 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione

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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 159099036) has the molecular formula C125H130F2N12O26S4 and a molecular weight of 2382.74 g/mol. Its IUPAC name is 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159099036
• Molecular Formula: C125H130F2N12O26S4
• Molecular Weight: 2382.74 g/mol
• Exact Mass: 2380.81
• IUPAC Name: 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione
• SMILES: CCCOC1CC(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)C1.COc1ccccc1C(Cn1c(=O)n(-c2cc(C)ccc2F)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(-c2ccc(C)cc2OC)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(-c2cccc(C)c2F)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1
• InChI: InChI=1S/C32H33N3O7S.2C31H30FN3O6S.C31H37N3O7S/c1-19-9-10-23(25(17-19)39-4)35-30(36)27-20(2)28(29-33-13-16-41-29)43-31(27)34(32(35)37)18-26(42-21-11-14-40-15-12-21)22-7-5-6-8-24(22)38-3;1-18-7-6-9-22(26(18)32)35-29(36)25-19(2)27(28-33-13-16-40-28)42-30(25)34(31(35)37)17-24(41-20-11-14-39-15-12-20)21-8-4-5-10-23(21)38-3;1-18-8-9-22(32)23(16-18)35-29(36)26-19(2)27(28-33-12-15-40-28)42-30(26)34(31(35)37)17-25(41-20-10-13-39-14-11-20)21-6-4-5-7-24(21)38-3;1-4-12-39-22-16-20(17-22)34-29(35)26-19(2)27(28-32-11-15-40-28)42-30(26)33(31(34)36)18-25(41-21-9-13-38-14-10-21)23-7-5-6-8-24(23)37-3/h5-10,13,16-17,21,26H,11-12,14-15,18H2,1-4H3;4-10,13,16,20,24H,11-12,14-15,17H2,1-3H3;4-9,12,15-16,20,25H,10-11,13-14,17H2,1-3H3;5-8,11,15,20-22,25H,4,9-10,12-14,16-18H2,1-3H3
• InChIKey: KDARUULGADIUTK-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 409.34 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2382.74
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 159099036) is 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione is CCCOC1CC(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)C1.COc1ccccc1C(Cn1c(=O)n(-c2cc(C)ccc2F)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(-c2ccc(C)cc2OC)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.COc1ccccc1C(Cn1c(=O)n(-c2cccc(C)c2F)c(=O)c2c(C)c(-c3ncco3)sc21)OC1CCOCC1.

What is the InChIKey of 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is KDARUULGADIUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O7S.2C31H30FN3O6S.C31H37N3O7S/c1-19-9-10-23(25(17-19)39-4)35-30(36)27-20(2)28(29-33-13-16-41-29)43-31(27)34(32(35)37)18-26(42-21-11-14-40-15-12-21)22-7-5-6-8-24(22)38-3;1-18-7-6-9-22(26(18)32)35-29(36)25-19(2)27(28-33-13-16-40-28)42-30(25)34(31(35)37)17-24(41-20-11-14-39-15-12-20)21-8-4-5-10-23(21)38-3;1-18-8-9-22(32)23(16-18)35-29(36)26-19(2)27(28-33-12-15-40-28)42-30(26)34(31(35)37)17-25(41-20-10-13-39-14-11-20)21-6-4-5-7-24(21)38-3;1-4-12-39-22-16-20(17-22)34-29(35)26-19(2)27(28-32-11-15-40-28)42-30(26)33(31(34)36)18-25(41-21-9-13-38-14-10-21)23-7-5-6-8-24(23)37-3/h5-10,13,16-17,21,26H,11-12,14-15,18H2,1-4H3;4-10,13,16,20,24H,11-12,14-15,17H2,1-3H3;4-9,12,15-16,20,25H,10-11,13-14,17H2,1-3H3;5-8,11,15,20-22,25H,4,9-10,12-14,16-18H2,1-3H3.

What are the key properties of 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione?

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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 2382.74 g/mol, XLogP of 21.84, 36 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-3-(3-propoxycyclobutyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159099036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).