1-(2-fluoroethyl)pyrimidine-2,4-dione

C6H7FN2O2 — CID 80694010

IUPAC1-(2-fluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCF)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O2/c7-2-4-9-3-1-5(10)8-6(9)11/h1,3H,2,4H2,(H,8,10,11)
InChIKeyPYAGAMQRPWDTBE-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.49
Rot. Bonds2

About 1-(2-fluoroethyl)pyrimidine-2,4-dione

1-(2-fluoroethyl)pyrimidine-2,4-dione (PubChem CID 80694010) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 1-(2-fluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)pyrimidine-2,4-dione
PubChem CID80694010
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name1-(2-fluoroethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCF)c(=O)[nH]1
InChIInChI=1S/C6H7FN2O2/c7-2-4-9-3-1-5(10)8-6(9)11/h1,3H,2,4H2,(H,8,10,11)
InChIKeyPYAGAMQRPWDTBE-UHFFFAOYSA-N
XLogP-0.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 63810752
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
CID 62563033
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluoroethyl)pyrimidine-2,4-dione (CID 80694010) is 1-(2-fluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluoroethyl)pyrimidine-2,4-dione is O=c1ccn(CCF)c(=O)[nH]1.
What is the InChIKey of 1-(2-fluoroethyl)pyrimidine-2,4-dione?
The InChIKey is PYAGAMQRPWDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-2-4-9-3-1-5(10)8-6(9)11/h1,3H,2,4H2,(H,8,10,11).
What are the key properties of 1-(2-fluoroethyl)pyrimidine-2,4-dione?
1-(2-fluoroethyl)pyrimidine-2,4-dione has a molecular weight of 158.13 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 80694010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).