3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one

C20H15FN2O3S — CID 24959370

IUPAC3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1Oc1nc2c(C)csc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O3S/c1-12-11-27-18-17(12)22-20(26-16-6-4-3-5-15(16)25-2)23(19(18)24)14-9-7-13(21)8-10-14/h3-11H,1-2H3
InChIKeyJBIVVRAWCUSPHV-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.70
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one

3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 24959370) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID24959370
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccccc1Oc1nc2c(C)csc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C20H15FN2O3S/c1-12-11-27-18-17(12)22-20(26-16-6-4-3-5-15(16)25-2)23(19(18)24)14-9-7-13(21)8-10-14/h3-11H,1-2H3
InChIKeyJBIVVRAWCUSPHV-UHFFFAOYSA-N
XLogP4.70
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one (CID 24959370) is 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one is COc1ccccc1Oc1nc2c(C)csc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is JBIVVRAWCUSPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c1-12-11-27-18-17(12)22-20(26-16-6-4-3-5-15(16)25-2)23(19(18)24)14-9-7-13(21)8-10-14/h3-11H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one?
3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 382.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(2-methoxyphenoxy)-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 24959370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).