3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione

C11H12F2N4O2 — CID 55239008

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nccn2C(F)F)c1=O
InChIInChI=1S/C11H12F2N4O2/c1-2-15-5-3-9(18)17(11(15)19)7-8-14-4-6-16(8)10(12)13/h3-6,10H,2,7H2,1H3
InChIKeyLVFVFDXGBDPUNR-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.67
Rot. Bonds4

About 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione

3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione (PubChem CID 55239008) has the molecular formula C11H12F2N4O2 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione
PubChem CID55239008
Molecular FormulaC11H12F2N4O2
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2nccn2C(F)F)c1=O
InChIInChI=1S/C11H12F2N4O2/c1-2-15-5-3-9(18)17(11(15)19)7-8-14-4-6-16(8)10(12)13/h3-6,10H,2,7H2,1H3
InChIKeyLVFVFDXGBDPUNR-UHFFFAOYSA-N
XLogP0.67
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]butyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155545245
1-[3-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]propyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155560736
[4-(2,5-Dioxopyrrol-1-yl)-1,3-dimethylimidazol-1-ium-2-yl]-trifluoroboranuide
CID 139186372
N-acryl-oylimidazole
CID 22336717
1-(1-Methylimidazol-4-yl)-4-prop-2-enoylpiperazin-2-one
CID 162624824
1-Methyl-4-(3-methylimidazol-3-ium-1-yl)-6-oxopyrimidin-2-olate
CID 399025
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
CID 99791421
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 132374798
2,2,2-trifluoro-N-(3-imidazol-1-ylpropyl)-N-methylacetamide
CID 18722256
5-fluoro-3-[3-(2-methylimidazol-1-yl)propanoyl]-1H-pyrimidine-2,4-dione
CID 129156045
2,2,2-Trifluoro-1-[4-(imidazole-1-carbonyl)piperazin-1-yl]ethanone
CID 154652225
2,2,2-Trifluoro-1-[4-(3-methylimidazol-3-ium-1-carbonyl)piperazin-1-yl]ethanone iodide
CID 154652237

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione (CID 55239008) is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2nccn2C(F)F)c1=O.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is LVFVFDXGBDPUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2/c1-2-15-5-3-9(18)17(11(15)19)7-8-14-4-6-16(8)10(12)13/h3-6,10H,2,7H2,1H3.
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione?
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 270.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 55239008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).