2,5-dibromo-4-methyl-1H-pyrimidin-6-one

C5H4Br2N2O — CID 137000652

IUPAC2,5-dibromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Br)[nH]c(=O)c1Br
InChIInChI=1S/C5H4Br2N2O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H,8,9,10)
InChIKeyAFWCXIDXVGEHBW-UHFFFAOYSA-N
MW267.91 g/mol
LogP1.60
Rot. Bonds

About 2,5-dibromo-4-methyl-1H-pyrimidin-6-one

2,5-dibromo-4-methyl-1H-pyrimidin-6-one (PubChem CID 137000652) has the molecular formula C5H4Br2N2O and a molecular weight of 267.91 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-1H-pyrimidin-6-one
PubChem CID137000652
Molecular FormulaC5H4Br2N2O
Molecular Weight267.91 g/mol
Exact Mass265.87
IUPAC Name2,5-dibromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Br)[nH]c(=O)c1Br
InChIInChI=1S/C5H4Br2N2O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H,8,9,10)
InChIKeyAFWCXIDXVGEHBW-UHFFFAOYSA-N
XLogP1.60
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.91
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dibromo-4-methyl-1H-pyrimidin-6-one (CID 137000652) is 2,5-dibromo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dibromo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dibromo-4-methyl-1H-pyrimidin-6-one is Cc1nc(Br)[nH]c(=O)c1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is AFWCXIDXVGEHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H,8,9,10).
What are the key properties of 2,5-dibromo-4-methyl-1H-pyrimidin-6-one?
2,5-dibromo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 267.91 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137000652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).