7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

C19H13FN2O2S — CID 78321115

IUPAC7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4F)csc3c2=O)cc1
InChIInChI=1S/C19H13FN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3
InChIKeyBEPYXQHMZVDWQX-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.26
Rot. Bonds3

About 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 78321115) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID78321115
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4F)csc3c2=O)cc1
InChIInChI=1S/C19H13FN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3
InChIKeyBEPYXQHMZVDWQX-UHFFFAOYSA-N
XLogP4.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Necrostatin-5
CID 1913406
N-[(3-methoxyphenyl)methyl]-4-oxo-5-[(2-phenylacetyl)amino]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652324
2-Hydrazinyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 746518
3-(3-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 899013
{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
CID 1234022
5-(4-Methoxy-phenyl)-3-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 709188
3-Allyl-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 709192
3-(4-Ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 916362
5-(4-Ethoxyphenyl)-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 1082736
3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 2077545
3-(4-methoxyphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 1068846
2-[[4-keto-3-(3-pyrrolidinopropyl)benzothiopheno[3,2-d]pyrimidin-2-yl]thio]-N-(4-methoxyphenyl)acetamide
CID 22589483

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (CID 78321115) is 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2cnc3c(-c4ccccc4F)csc3c2=O)cc1.
What is the InChIKey of 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is BEPYXQHMZVDWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c1-24-13-8-6-12(7-9-13)22-11-21-17-15(10-25-18(17)19(22)23)14-4-2-3-5-16(14)20/h2-11H,1H3.
What are the key properties of 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 352.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78321115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).