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

C18H15FN4O2S — CID 164601224

IUPAC6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2sc3nc(-c4nccn4C)[nH]c(=O)c3c2C)c1F
InChIInChI=1S/C18H15FN4O2S/c1-9-12-17(24)21-15(16-20-7-8-23(16)2)22-18(12)26-14(9)10-5-4-6-11(25-3)13(10)19/h4-8H,1-3H3,(H,21,22,24)
InChIKeyUSXXWPSQBNNEIL-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.51
Rot. Bonds3

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

6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 164601224) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID164601224
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2sc3nc(-c4nccn4C)[nH]c(=O)c3c2C)c1F
InChIInChI=1S/C18H15FN4O2S/c1-9-12-17(24)21-15(16-20-7-8-23(16)2)22-18(12)26-14(9)10-5-4-6-11(25-3)13(10)19/h4-8H,1-3H3,(H,21,22,24)
InChIKeyUSXXWPSQBNNEIL-UHFFFAOYSA-N
XLogP3.51
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 164601224) is 6-(2-fluoro-3-methoxyphenyl)-5-methyl-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-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is COc1cccc(-c2sc3nc(-c4nccn4C)[nH]c(=O)c3c2C)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is USXXWPSQBNNEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-9-12-17(24)21-15(16-20-7-8-23(16)2)22-18(12)26-14(9)10-5-4-6-11(25-3)13(10)19/h4-8H,1-3H3,(H,21,22,24).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 370.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 164601224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).