5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one

C9H13BrN2O — CID 165470590

IUPAC5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cc1ncn(C)c(=O)c1Br
InChIInChI=1S/C9H13BrN2O/c1-6(2)4-7-8(10)9(13)12(3)5-11-7/h5-6H,4H2,1-3H3
InChIKeyCLCSWDWGJUHGBN-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.74
Rot. Bonds2

About 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one

5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one (PubChem CID 165470590) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one
PubChem CID165470590
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one
SMILESCC(C)Cc1ncn(C)c(=O)c1Br
InChIInChI=1S/C9H13BrN2O/c1-6(2)4-7-8(10)9(13)12(3)5-11-7/h5-6H,4H2,1-3H3
InChIKeyCLCSWDWGJUHGBN-UHFFFAOYSA-N
XLogP1.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carbaldehyde
CID 83912887
3,5-dibromo-2-(2-methylpropyl)pyridin-4-amine
CID 130114720
5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one
CID 21090152
5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 66311093
3-amino-5-(2-methylpropyl)imidazole-4-carboxylic acid
CID 134360754
1,7-dimethylpurin-6-one;propane
CID 142357897
ethyl 4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxylate
CID 24728986
4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine
CID 83911696
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 18148665
3-cyclopropyl-5-(2-methylpropyl)imidazol-4-amine
CID 62077316
5-iodo-3,6-dimethylpyrimidin-4-one
CID 66342888
5-bromo-6-chloro-3-propan-2-ylpyrimidin-4-one
CID 114583536

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one (CID 165470590) is 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one is CC(C)Cc1ncn(C)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one?
The InChIKey is CLCSWDWGJUHGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-6(2)4-7-8(10)9(13)12(3)5-11-7/h5-6H,4H2,1-3H3.
What are the key properties of 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one?
5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one has a molecular weight of 245.12 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-(2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 165470590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).