5-bromo-1-butyl-6-methylpyrimidine-2,4-dione

C9H13BrN2O2 — CID 13014883

IUPAC5-bromo-1-butyl-6-methylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C9H13BrN2O2/c1-3-4-5-12-6(2)7(10)8(13)11-9(12)14/h3-5H2,1-2H3,(H,11,13,14)
InChIKeyWGDIMRGOISXBSS-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.41
Rot. Bonds3

About 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione

5-bromo-1-butyl-6-methylpyrimidine-2,4-dione (PubChem CID 13014883) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-butyl-6-methylpyrimidine-2,4-dione
PubChem CID13014883
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name5-bromo-1-butyl-6-methylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C9H13BrN2O2/c1-3-4-5-12-6(2)7(10)8(13)11-9(12)14/h3-5H2,1-2H3,(H,11,13,14)
InChIKeyWGDIMRGOISXBSS-UHFFFAOYSA-N
XLogP1.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-butyl-6-methyl-1H-pyrimidine-2,4-dione
CID 54098317
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
4,5-dimethyl-3-propyl-1H-imidazol-2-one
CID 131155621
6-bromo-1-pentylquinazoline-2,4-dione
CID 141462501
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 55605234
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-butyl-6-(3,5-dimethylphenoxy)-5-ethylpyrimidine-2,4-dione
CID 142630502
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
6-amino-1-butyl-5-(4-methylphenyl)sulfanylpyrimidine-2,4-dione
CID 2366350
3-butyl-6-methyl-1H-benzimidazol-2-one
CID 139627859
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-methylfuran-3-carboxamide
CID 18196708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione (CID 13014883) is 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione is CCCCn1c(C)c(Br)c(=O)[nH]c1=O.
What is the InChIKey of 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione?
The InChIKey is WGDIMRGOISXBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-3-4-5-12-6(2)7(10)8(13)11-9(12)14/h3-5H2,1-2H3,(H,11,13,14).
What are the key properties of 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione?
5-bromo-1-butyl-6-methylpyrimidine-2,4-dione has a molecular weight of 261.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butyl-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 13014883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).