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

C11H15FN2O2 — CID 136730197

IUPAC5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1F
InChIInChI=1S/C11H15FN2O2/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)
InChIKeyZMYCBWNRENBHQE-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.33
Rot. Bonds2

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

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136730197) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136730197
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCCCO2)[nH]c(=O)c1F
InChIInChI=1S/C11H15FN2O2/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)
InChIKeyZMYCBWNRENBHQE-UHFFFAOYSA-N
XLogP1.33
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136228886
5-iodo-4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136225793
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730161
4-amino-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730163
4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730171
2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one
CID 136730173
4-tert-butyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730175
4-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730177
4,5-dimethyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730180
5-ethyl-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730182
5-bromo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730203
5-iodo-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730205

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 136730197) is 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(CC2CCCCO2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ZMYCBWNRENBHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/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-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 226.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136730197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).