1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione

C11H14N4O2 — CID 66154360

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCCn1cncc1Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2/c1-3-14-7-12-4-9(14)6-15-5-8(2)10(16)13-11(15)17/h4-5,7H,3,6H2,1-2H3,(H,13,16,17)
InChIKeyMNNHJTBNGCEOCO-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.11
Rot. Bonds3

About 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione

1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 66154360) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID66154360
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCCn1cncc1Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2/c1-3-14-7-12-4-9(14)6-15-5-8(2)10(16)13-11(15)17/h4-5,7H,3,6H2,1-2H3,(H,13,16,17)
InChIKeyMNNHJTBNGCEOCO-UHFFFAOYSA-N
XLogP0.11
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethyl-1H-imidazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72845306
5,5-Dimethyl-3-[2-(4-methylimidazol-1-yl)ethyl]imidazolidine-2,4-dione
CID 137659670
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclopropanecarboxamide
CID 60312126
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1-isobutyl-1H-imidazol-5-yl)methyl]glycinamide
CID 91783805
N-{1-[(1-ethyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}acetamide
CID 91832048
N-{1-[(1-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}acetamide
CID 91841424
(3S)-N-methyl-3-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]butanamide
CID 99944463
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 121495191
2-[1-acetyl-2-(1,1-diiodoethyl)imidazol-4-yl]-5-fluoro-1H-pyrimidin-6-one
CID 145046756
N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide
CID 157037880
6,8-Dimethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-one
CID 167206768
N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]-2,2-dimethylpropanamide
CID 169875596

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione (CID 66154360) is 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione is CCn1cncc1Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is MNNHJTBNGCEOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-14-7-12-4-9(14)6-15-5-8(2)10(16)13-11(15)17/h4-5,7H,3,6H2,1-2H3,(H,13,16,17).
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 66154360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).