5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C11H15BrN2O2 — CID 136730203

IUPAC5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN2O2/c1-7-10(12)11(15)14-9(13-7)6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H,13,14,15)
InChIKeyILXWAVAVSGNQPI-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.95
Rot. Bonds2

About 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730203) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730203
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1Br
InChIInChI=1S/C11H15BrN2O2/c1-7-10(12)11(15)14-9(13-7)6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H,13,14,15)
InChIKeyILXWAVAVSGNQPI-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730197
5-bromo-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249140
5-bromo-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249169
5-bromo-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136225144
5-bromo-4-methyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136225472
5-bromo-4-ethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136226003
5-bromo-2-(oxolan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one
CID 136256545
5-bromo-4-(methoxymethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136256633
4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730171
4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730180
5-bromo-2-(2-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136730202
5-iodo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730203) is 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(CC2CCCCO2)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ILXWAVAVSGNQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7-10(12)11(15)14-9(13-7)6-8-4-2-3-5-16-8/h8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).