1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone

C15H16N2O2 — CID 62771715

IUPAC1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
SMILESCCOc1cccc(-c2ncc(C(C)=O)c(C)n2)c1
InChIInChI=1S/C15H16N2O2/c1-4-19-13-7-5-6-12(8-13)15-16-9-14(11(3)18)10(2)17-15/h5-9H,4H2,1-3H3
InChIKeyUCDLKPLGBHLLPN-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone

1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone (PubChem CID 62771715) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
PubChem CID62771715
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
SMILESCCOc1cccc(-c2ncc(C(C)=O)c(C)n2)c1
InChIInChI=1S/C15H16N2O2/c1-4-19-13-7-5-6-12(8-13)15-16-9-14(11(3)18)10(2)17-15/h5-9H,4H2,1-3H3
InChIKeyUCDLKPLGBHLLPN-UHFFFAOYSA-N
XLogP3.05
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
1-[4-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone
CID 62771012
4-amino-2-(3-ethoxyphenyl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 83567312
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799
2-[3-[(2-chloro-3-cyanophenyl)methoxy]phenyl]-4-methylpyrimidine-5-carboxylic acid
CID 156772043
6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
CID 82453003
6-(3-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453002
1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanone
CID 62771886
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone (CID 62771715) is 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone is CCOc1cccc(-c2ncc(C(C)=O)c(C)n2)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is UCDLKPLGBHLLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-19-13-7-5-6-12(8-13)15-16-9-14(11(3)18)10(2)17-15/h5-9H,4H2,1-3H3.
What are the key properties of 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone?
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 62771715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).