3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione

C8H7FN2O2 — CID 126697175

IUPAC3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESC=Cc1[nH]c(=O)n(C=C)c(=O)c1F
InChIInChI=1S/C8H7FN2O2/c1-3-5-6(9)7(12)11(4-2)8(13)10-5/h3-4H,1-2H2,(H,10,13)
InChIKeyXFNBWYDXRLHFLA-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.42
Rot. Bonds2

About 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione

3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 126697175) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID126697175
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESC=Cc1[nH]c(=O)n(C=C)c(=O)c1F
InChIInChI=1S/C8H7FN2O2/c1-3-5-6(9)7(12)11(4-2)8(13)10-5/h3-4H,1-2H2,(H,10,13)
InChIKeyXFNBWYDXRLHFLA-UHFFFAOYSA-N
XLogP0.42
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H,2H,3H-pyrido[1,2-c]pyrimidine-1,3-dione
CID 117761086
5-Fluoro-6-vinyluracil
CID 129675881
3-Allyl-6-methyluracil
CID 13602047
3-allyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CID 1472057
1-Methyl-6-trifluoromethylpyrimidine-2,4-dione
CID 11435480
1-(Fluoromethyl)pyrimidine-2,4-dione
CID 18365926
1-[N-(trans,trans-1,3-pentadienyl)carbamoyl]-5-fluorouracil
CID 20525069
5-fluoro-2,4-dioxo-N-penta-1,3-dienylpyrimidine-1-carboxamide
CID 53769542
1-Ethyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 67696218
1-(1-Fluoroethenyl)pyrimidine-2,4-dione
CID 67743513
1-(2-Fluoroethenyl)pyrimidine-2,4-dione
CID 67743514
1-(2-Fluoroethyl)pyrimidine-2,4-dione
CID 80694010

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione (CID 126697175) is 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione is C=Cc1[nH]c(=O)n(C=C)c(=O)c1F.
What is the InChIKey of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is XFNBWYDXRLHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-3-5-6(9)7(12)11(4-2)8(13)10-5/h3-4H,1-2H2,(H,10,13).
What are the key properties of 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 182.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(ethenyl)-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126697175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).