5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione

C8H9BrN2O3 — CID 23273961

IUPAC5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione
SMILESC=CCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C8H9BrN2O3/c1-3-4-14-11-7(12)6(9)5(2)10-8(11)13/h3H,1,4H2,2H3,(H,10,13)
InChIKeyPMHJNIFHQLTCHQ-UHFFFAOYSA-N
MW261.07 g/mol
LogP0.22
Rot. Bonds3

About 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione

5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione (PubChem CID 23273961) has the molecular formula C8H9BrN2O3 and a molecular weight of 261.07 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione
PubChem CID23273961
Molecular FormulaC8H9BrN2O3
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione
SMILESC=CCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C8H9BrN2O3/c1-3-4-14-11-7(12)6(9)5(2)10-8(11)13/h3H,1,4H2,2H3,(H,10,13)
InChIKeyPMHJNIFHQLTCHQ-UHFFFAOYSA-N
XLogP0.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione (CID 23273961) is 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione is C=CCOn1c(=O)[nH]c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione?
The InChIKey is PMHJNIFHQLTCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3/c1-3-4-14-11-7(12)6(9)5(2)10-8(11)13/h3H,1,4H2,2H3,(H,10,13).
What are the key properties of 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione?
5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione has a molecular weight of 261.07 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-prop-2-enoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23273961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).