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

C94H93F2N9O19S3 — CID 163885115

IUPAC3-(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
SMILESCOc1ccccc1C(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
InChIInChI=1S/C32H33N3O7S.2C31H30FN3O6S/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/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
InChIKeyPWRIWLSDIDLBHJ-UHFFFAOYSA-N
MW1787.02 g/mol
LogP16.58
Rot. Bonds25

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

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 (PubChem CID 163885115) has the molecular formula C94H93F2N9O19S3 and a molecular weight of 1787.02 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.

Molecular Properties

Compound Name3-(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
PubChem CID163885115
Molecular FormulaC94H93F2N9O19S3
Molecular Weight1787.02 g/mol
Exact Mass1785.57
IUPAC Name3-(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
SMILESCOc1ccccc1C(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
InChIInChI=1S/C32H33N3O7S.2C31H30FN3O6S/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/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
InChIKeyPWRIWLSDIDLBHJ-UHFFFAOYSA-N
XLogP16.58
TPSA302.39 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.02
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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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?
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 (CID 163885115) 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.
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?
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 is 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?
The InChIKey is PWRIWLSDIDLBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O7S.2C31H30FN3O6S/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/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.
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?
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 has a molecular weight of 1787.02 g/mol, XLogP of 16.58, 25 rotatable bonds, 0 hydrogen bond donors, and 31 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 is sourced from PubChem (CID 163885115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).