6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

C24H19FN4O3S — CID 167390233

IUPAC6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2c(-c3cccc(OC)c3F)sc3nc(-c4nccn4C)[nH]c(=O)c23)cc1
InChIInChI=1S/C24H19FN4O3S/c1-29-12-11-26-22(29)21-27-23(30)18-17(13-7-9-14(31-2)10-8-13)20(33-24(18)28-21)15-5-4-6-16(32-3)19(15)25/h4-12H,1-3H3,(H,27,28,30)
InChIKeyOMHVGCDZLNIBSR-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.88
Rot. Bonds5

About 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one

6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 167390233) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID167390233
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2c(-c3cccc(OC)c3F)sc3nc(-c4nccn4C)[nH]c(=O)c23)cc1
InChIInChI=1S/C24H19FN4O3S/c1-29-12-11-26-22(29)21-27-23(30)18-17(13-7-9-14(31-2)10-8-13)20(33-24(18)28-21)15-5-4-6-16(32-3)19(15)25/h4-12H,1-3H3,(H,27,28,30)
InChIKeyOMHVGCDZLNIBSR-UHFFFAOYSA-N
XLogP4.88
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 167390233) is 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2c(-c3cccc(OC)c3F)sc3nc(-c4nccn4C)[nH]c(=O)c23)cc1.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is OMHVGCDZLNIBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c1-29-12-11-26-22(29)21-27-23(30)18-17(13-7-9-14(31-2)10-8-13)20(33-24(18)28-21)15-5-4-6-16(32-3)19(15)25/h4-12H,1-3H3,(H,27,28,30).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 462.51 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-5-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 167390233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).