3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione

C11H14N4O2 — CID 63810772

IUPAC3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCCn1ccnc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C11H14N4O2/c1-3-14-7-5-12-9(14)8-15-10(16)4-6-13(2)11(15)17/h4-7H,3,8H2,1-2H3
InChIKeyZCTKPVXMHWVFEX-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.19
Rot. Bonds3

About 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione

3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63810772) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID63810772
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCCn1ccnc1Cn1c(=O)ccn(C)c1=O
InChIInChI=1S/C11H14N4O2/c1-3-14-7-5-12-9(14)8-15-10(16)4-6-13(2)11(15)17/h4-7H,3,8H2,1-2H3
InChIKeyZCTKPVXMHWVFEX-UHFFFAOYSA-N
XLogP-0.19
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
3-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 60697647
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63812539
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
CID 79760580
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754
3-(ethoxymethyl)-1-methylpyrimidine-2,4-dione
CID 65367266
4-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63881137
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800345
2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetaldehyde
CID 63801196

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione (CID 63810772) is 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione is CCn1ccnc1Cn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is ZCTKPVXMHWVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-14-7-5-12-9(14)8-15-10(16)4-6-13(2)11(15)17/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63810772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).