3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one

C14H12FN3OS — CID 118724083

IUPAC3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2F)nc2ccsc2c1=O
InChIInChI=1S/C14H12FN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyHHWRQHJOJWGOAB-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.36
Rot. Bonds3

About 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118724083) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118724083
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2F)nc2ccsc2c1=O
InChIInChI=1S/C14H12FN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyHHWRQHJOJWGOAB-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-phenylpiperazin-1-yl)butyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 155516399
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 6460856
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3237000
2-(3-butan-2-yl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4524571
4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-fluorophenyl)butanamide
CID 4583348
N-(3,4-difluorophenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
CID 11957253
3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide
CID 16193203
2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
2-Anilino-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118724077
3-Ethyl-2-(2-methylanilino)thieno[3,2-d]pyrimidin-4-one
CID 118724078

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one (CID 118724083) is 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one is CCn1c(Nc2ccccc2F)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HHWRQHJOJWGOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-2-18-13(19)12-11(7-8-20-12)17-14(18)16-10-6-4-3-5-9(10)15/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 289.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-fluoroanilino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118724083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).