3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C12H7FN2O2S — CID 45030939

IUPAC3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C12H7FN2O2S/c13-7-3-1-2-4-9(7)15-11(16)10-8(5-6-18-10)14-12(15)17/h1-6H,(H,14,17)
InChIKeyAKGDUKKGIUZZSY-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.88
Rot. Bonds1

About 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 45030939) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID45030939
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2ccsc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C12H7FN2O2S/c13-7-3-1-2-4-9(7)15-11(16)10-8(5-6-18-10)14-12(15)17/h1-6H,(H,14,17)
InChIKeyAKGDUKKGIUZZSY-UHFFFAOYSA-N
XLogP1.88
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004607
6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004821
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 1478348
3-benzyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 2117383
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3237000
3-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3242310
3-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-fluorobenzyl)propanamide
CID 4582299
4-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(4-fluorophenyl)butanamide
CID 4583348
3-(4-Fluorophenyl)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6619317
2-(2,4-dioxo-3-phenyl-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)-N,N-diethylacetamide
CID 6619340
4-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(3-ethylphenyl)butanamide
CID 6621317
6-(2,4-diketo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-fluorobenzyl)hexanamide
CID 9551438

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 45030939) is 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2ccsc2c(=O)n1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is AKGDUKKGIUZZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-3-1-2-4-9(7)15-11(16)10-8(5-6-18-10)14-12(15)17/h1-6H,(H,14,17).
What are the key properties of 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 262.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 45030939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).