5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one

C8H7BrN4O2 — CID 66308590

IUPAC5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1ncon1
InChIInChI=1S/C8H7BrN4O2/c1-5-10-2-6(9)8(14)13(5)3-7-11-4-15-12-7/h2,4H,3H2,1H3
InChIKeyHDITWJDXZPWCJH-UHFFFAOYSA-N
MW271.07 g/mol
LogP0.75
Rot. Bonds2

About 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one

5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one (PubChem CID 66308590) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
PubChem CID66308590
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1Cc1ncon1
InChIInChI=1S/C8H7BrN4O2/c1-5-10-2-6(9)8(14)13(5)3-7-11-4-15-12-7/h2,4H,3H2,1H3
InChIKeyHDITWJDXZPWCJH-UHFFFAOYSA-N
XLogP0.75
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one
CID 66309234
5-bromo-2-methyl-3-(thiophen-2-ylmethyl)pyrimidin-4-one
CID 66310513
3-[(4-aminophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66310702
(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl-trifluoroboranuide
CID 66307791
5-bromo-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpyrimidin-4-one
CID 66310719
5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one
CID 66309002
5-bromo-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 66310730
5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one
CID 80664522
5-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 66307957
5-bromo-3-[(2,3-dichlorophenyl)methyl]-2-methylpyrimidin-4-one
CID 107309342
5-bromo-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-one
CID 66310710
3-[(3-amino-4-methoxyphenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66308369

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one (CID 66308590) is 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1Cc1ncon1.
What is the InChIKey of 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
The InChIKey is HDITWJDXZPWCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c1-5-10-2-6(9)8(14)13(5)3-7-11-4-15-12-7/h2,4H,3H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one has a molecular weight of 271.07 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66308590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).