5-bromo-4-methyl-1H-pyrimidin-6-one

C5H5BrN2O — CID 135460916

IUPAC5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1Br
InChIInChI=1S/C5H5BrN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
InChIKeyBIJQLSJJQJIFCL-UHFFFAOYSA-N
MW189.01 g/mol
LogP0.84
Rot. Bonds

About 5-bromo-4-methyl-1H-pyrimidin-6-one

5-bromo-4-methyl-1H-pyrimidin-6-one (PubChem CID 135460916) has the molecular formula C5H5BrN2O and a molecular weight of 189.01 g/mol. Its IUPAC name is 5-bromo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-methyl-1H-pyrimidin-6-one
PubChem CID135460916
Molecular FormulaC5H5BrN2O
Molecular Weight189.01 g/mol
Exact Mass187.96
IUPAC Name5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc[nH]c(=O)c1Br
InChIInChI=1S/C5H5BrN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
InChIKeyBIJQLSJJQJIFCL-UHFFFAOYSA-N
XLogP0.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.01
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-5-bromo-6-methyl-4-pyrimidinol
CID 135415622
5-Bromo-6-tert-butyl-4-pyrimidinol
CID 135401445
5-Bromo-6-(trifluoromethyl)pyrimidin-4-ol
CID 135424600
5-Iodo-6-methylpyrimidin-4-ol
CID 135467448
6-Amino-5-bromopyrimidin-4(3H)-one
CID 135536918
5-Amino-6-methylpyrimidin-4(1H)-one
CID 135464047
5-Fluoro-6-methylpyrimidin-4-ol
CID 135435246
5-bromo-6-(2-fluoropropan-2-yl)pyrimidin-4(3H)-one
CID 135741913
5-Bromo-6-(1-fluoroethyl)pyrimidin-4(1H)-one
CID 136269922
5-bromo-6-(difluoromethyl)pyrimidin-4(3H)-one
CID 136408025
5-Bromo-6-(1,1-difluoroethyl)pyrimidin-4(3H)-one
CID 136931250
5-bromo-4-(1-fluoro-1-iodoethyl)-1H-pyrimidin-6-one
CID 136980565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-methyl-1H-pyrimidin-6-one (CID 135460916) is 5-bromo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-methyl-1H-pyrimidin-6-one is Cc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BIJQLSJJQJIFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9).
What are the key properties of 5-bromo-4-methyl-1H-pyrimidin-6-one?
5-bromo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 189.01 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135460916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).