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

C8H11BrN2O3 — CID 23273964

IUPAC5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione
SMILESCCCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O3/c1-3-4-14-11-7(12)6(9)5(2)10-8(11)13/h3-4H2,1-2H3,(H,10,13)
InChIKeyBSNQGWYHNHLNKG-UHFFFAOYSA-N
MW263.09 g/mol
LogP0.45
Rot. Bonds3

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

5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione (PubChem CID 23273964) has the molecular formula C8H11BrN2O3 and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione
PubChem CID23273964
Molecular FormulaC8H11BrN2O3
Molecular Weight263.09 g/mol
Exact Mass262.00
IUPAC Name5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione
SMILESCCCOn1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C8H11BrN2O3/c1-3-4-14-11-7(12)6(9)5(2)10-8(11)13/h3-4H2,1-2H3,(H,10,13)
InChIKeyBSNQGWYHNHLNKG-UHFFFAOYSA-N
XLogP0.45
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione (CID 23273964) is 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione is CCCOn1c(=O)[nH]c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione?
The InChIKey is BSNQGWYHNHLNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3/c1-3-4-14-11-7(12)6(9)5(2)10-8(11)13/h3-4H2,1-2H3,(H,10,13).
What are the key properties of 5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione?
5-bromo-6-methyl-3-propoxy-1H-pyrimidine-2,4-dione has a molecular weight of 263.09 g/mol, XLogP of 0.45, 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-propoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23273964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).