5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione

C10H11BrN4O2 — CID 63777274

IUPAC5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1nccn1CCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H11BrN4O2/c1-7-12-2-3-14(7)4-5-15-6-8(11)9(16)13-10(15)17/h2-3,6H,4-5H2,1H3,(H,13,16,17)
InChIKeyDNELPXJNMWEAAT-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.50
Rot. Bonds3

About 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione

5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 63777274) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione
PubChem CID63777274
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1nccn1CCn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C10H11BrN4O2/c1-7-12-2-3-14(7)4-5-15-6-8(11)9(16)13-10(15)17/h2-3,6H,4-5H2,1H3,(H,13,16,17)
InChIKeyDNELPXJNMWEAAT-UHFFFAOYSA-N
XLogP0.50
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione (CID 63777274) is 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione is Cc1nccn1CCn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is DNELPXJNMWEAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-7-12-2-3-14(7)4-5-15-6-8(11)9(16)13-10(15)17/h2-3,6H,4-5H2,1H3,(H,13,16,17).
What are the key properties of 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione?
5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 299.13 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-methylimidazol-1-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63777274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).