2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C15H13FN2O2S — CID 7534700

IUPAC2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(COc3ccccc3F)[nH]c(=O)c2c1C
InChIInChI=1S/C15H13FN2O2S/c1-8-9(2)21-15-13(8)14(19)17-12(18-15)7-20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3,(H,17,18,19)
InChIKeyCHPIMKQOZWLLOC-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.32
Rot. Bonds3

About 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 7534700) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID7534700
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(COc3ccccc3F)[nH]c(=O)c2c1C
InChIInChI=1S/C15H13FN2O2S/c1-8-9(2)21-15-13(8)14(19)17-12(18-15)7-20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3,(H,17,18,19)
InChIKeyCHPIMKQOZWLLOC-UHFFFAOYSA-N
XLogP3.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 7534700) is 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(COc3ccccc3F)[nH]c(=O)c2c1C.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CHPIMKQOZWLLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-8-9(2)21-15-13(8)14(19)17-12(18-15)7-20-11-6-4-3-5-10(11)16/h3-6H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 304.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7534700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).