2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate

C10H13BrN2O4 — CID 15025800

IUPAC2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C10H13BrN2O4/c1-6-8(11)9(15)12(3)10(16)13(6)4-5-17-7(2)14/h4-5H2,1-3H3
InChIKeyKBFJDJNVBAPCDE-UHFFFAOYSA-N
MW305.13 g/mol
LogP0.18
Rot. Bonds3

About 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate

2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate (PubChem CID 15025800) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
PubChem CID15025800
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC Name2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)c(Br)c(=O)n(C)c1=O
InChIInChI=1S/C10H13BrN2O4/c1-6-8(11)9(15)12(3)10(16)13(6)4-5-17-7(2)14/h4-5H2,1-3H3
InChIKeyKBFJDJNVBAPCDE-UHFFFAOYSA-N
XLogP0.18
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate (CID 15025800) is 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate is CC(=O)OCCn1c(C)c(Br)c(=O)n(C)c1=O.
What is the InChIKey of 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The InChIKey is KBFJDJNVBAPCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c1-6-8(11)9(15)12(3)10(16)13(6)4-5-17-7(2)14/h4-5H2,1-3H3.
What are the key properties of 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate?
2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate has a molecular weight of 305.13 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,6-dimethyl-2,4-dioxopyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 15025800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).