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

C10H15BrN2O2 — CID 21163058

IUPAC5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione
SMILESCCC(CC)n1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O2/c1-4-7(5-2)13-9(14)8(11)6(3)12-10(13)15/h7H,4-5H2,1-3H3,(H,12,15)
InChIKeyLGTWEYMOUWQCMS-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.97
Rot. Bonds3

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

5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione (PubChem CID 21163058) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione
PubChem CID21163058
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione
SMILESCCC(CC)n1c(=O)[nH]c(C)c(Br)c1=O
InChIInChI=1S/C10H15BrN2O2/c1-4-7(5-2)13-9(14)8(11)6(3)12-10(13)15/h7H,4-5H2,1-3H3,(H,12,15)
InChIKeyLGTWEYMOUWQCMS-UHFFFAOYSA-N
XLogP1.97
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione (CID 21163058) is 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione is CCC(CC)n1c(=O)[nH]c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione?
The InChIKey is LGTWEYMOUWQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-4-7(5-2)13-9(14)8(11)6(3)12-10(13)15/h7H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione?
5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione has a molecular weight of 275.15 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-pentan-3-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21163058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).