7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

C18H15FN4OS — CID 160873555

IUPAC7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(F)ccc1-c1c(C)sc2c(=O)[nH]c(-c3nccn3C)nc12
InChIInChI=1S/C18H15FN4OS/c1-9-8-11(19)4-5-12(9)13-10(2)25-15-14(13)21-16(22-18(15)24)17-20-6-7-23(17)3/h4-8H,1-3H3,(H,21,22,24)
InChIKeyYWADURGXTRNVST-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.81
Rot. Bonds2

About 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 160873555) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID160873555
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC Name7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(F)ccc1-c1c(C)sc2c(=O)[nH]c(-c3nccn3C)nc12
InChIInChI=1S/C18H15FN4OS/c1-9-8-11(19)4-5-12(9)13-10(2)25-15-14(13)21-16(22-18(15)24)17-20-6-7-23(17)3/h4-8H,1-3H3,(H,21,22,24)
InChIKeyYWADURGXTRNVST-UHFFFAOYSA-N
XLogP3.81
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 160873555) is 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1cc(F)ccc1-c1c(C)sc2c(=O)[nH]c(-c3nccn3C)nc12.
What is the InChIKey of 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YWADURGXTRNVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c1-9-8-11(19)4-5-12(9)13-10(2)25-15-14(13)21-16(22-18(15)24)17-20-6-7-23(17)3/h4-8H,1-3H3,(H,21,22,24).
What are the key properties of 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 354.41 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methylphenyl)-6-methyl-2-(1-methylimidazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 160873555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).