2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one

C13H13FN2O2 — CID 103241752

IUPAC2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cc(C)ccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-3-11-15-12(17)7-13(16-11)18-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyILRDODIMMJITLR-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.57
Rot. Bonds3

About 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one

2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103241752) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID103241752
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cc(C)ccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-3-11-15-12(17)7-13(16-11)18-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyILRDODIMMJITLR-UHFFFAOYSA-N
XLogP2.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-methyl-2-((m-tolyloxy)methyl)-
CID 135406787
2,6-Dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-ol
CID 135419007
2-[2-(4-Methoxy-phenyl)-ethyl]-6-trifluoromethyl-pyrimidin-4-ol
CID 136048720
6-phenoxy-2-phenyl-4(3H)-pyrimidinone
CID 13185841
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 75535521
2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one
CID 91941408
2-(2-Fluoro-5-methoxyphenyl)-4,6-dihydroxypyrimidine
CID 21473028
8-(4-Fluoro-3-methylphenoxy)pyrido[1,2-a]pyrimidin-4-one
CID 22263539
5-fluoro-2-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
CID 57818534
(E)-N-(2,3-dihydropyridin-6-yl)-3-(2-fluoro-4-methoxyphenyl)prop-2-enamide
CID 134582115
2-[5-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]acetamide
CID 137078826
4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]-2-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboximidoyl fluoride
CID 145480210

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one (CID 103241752) is 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one is CCc1nc(Oc2cc(C)ccc2F)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is ILRDODIMMJITLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-11-15-12(17)7-13(16-11)18-10-6-8(2)4-5-9(10)14/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 248.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).