6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one

C14H16N2O2 — CID 123360584

IUPAC6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one
SMILESCCc1cc(Oc2cc(=O)n(C)cn2)ccc1C
InChIInChI=1S/C14H16N2O2/c1-4-11-7-12(6-5-10(11)2)18-13-8-14(17)16(3)9-15-13/h5-9H,4H2,1-3H3
InChIKeyLDRRCWHODDBBPZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.44
Rot. Bonds3

About 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one

6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one (PubChem CID 123360584) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one
PubChem CID123360584
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one
SMILESCCc1cc(Oc2cc(=O)n(C)cn2)ccc1C
InChIInChI=1S/C14H16N2O2/c1-4-11-7-12(6-5-10(11)2)18-13-8-14(17)16(3)9-15-13/h5-9H,4H2,1-3H3
InChIKeyLDRRCWHODDBBPZ-UHFFFAOYSA-N
XLogP2.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenoxy)-5-[(E)-3-oxobut-1-enyl]-1H-pyrimidin-6-one
CID 56673602
(4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate
CID 134917371
4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one
CID 103241753
4-(4-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241867
4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171904
4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
CID 107663074
3-(1-butyl-6-methoxy-3,4-dihydronaphthalen-2-yl)-N-[4-(4H-pyrimidin-3-yl)butyl]prop-2-enamide
CID 53948382
2-Amino-6-[2-[3-(4-methoxy-2-methylphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one
CID 57607293
2-Amino-6-[2-[2-(3-methoxyphenyl)phenyl]ethyl]-3-methylpyrimidin-4-one
CID 68932601
(E)-3-(1-butyl-6-methoxy-3,4-dihydronaphthalen-2-yl)-N-[4-(4H-pyrimidin-3-yl)butyl]prop-2-enamide
CID 70374606
(E)-3-(6-methoxy-3-pentyl-1H-inden-2-yl)-N-[4-(4H-pyrimidin-3-yl)butyl]prop-2-enamide
CID 70374814
6-(3,4-dimethylphenoxy)-3-methyl-4H-pyrimidine
CID 123834813

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one?
The IUPAC name of 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one (CID 123360584) is 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one is CCc1cc(Oc2cc(=O)n(C)cn2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one?
The InChIKey is LDRRCWHODDBBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-11-7-12(6-5-10(11)2)18-13-8-14(17)16(3)9-15-13/h5-9H,4H2,1-3H3.
What are the key properties of 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one?
6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one has a molecular weight of 244.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylphenoxy)-3-methylpyrimidin-4-one is sourced from PubChem (CID 123360584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).