1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone

C14H14N2O2 — CID 116901466

IUPAC1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
SMILESCCOc1ccc(-c2ccnc(C(C)=O)n2)cc1
InChIInChI=1S/C14H14N2O2/c1-3-18-12-6-4-11(5-7-12)13-8-9-15-14(16-13)10(2)17/h4-9H,3H2,1-2H3
InChIKeyXMAXKEXWGBZAET-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds4

About 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone

1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone (PubChem CID 116901466) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
PubChem CID116901466
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone
SMILESCCOc1ccc(-c2ccnc(C(C)=O)n2)cc1
InChIInChI=1S/C14H14N2O2/c1-3-18-12-6-4-11(5-7-12)13-8-9-15-14(16-13)10(2)17/h4-9H,3H2,1-2H3
InChIKeyXMAXKEXWGBZAET-UHFFFAOYSA-N
XLogP2.74
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-2-methoxypyrimidine
CID 116903760
1-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]ethanone
CID 116901514
[4-(4-ethoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900346
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 116897472
1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901442
1-[4-(3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901517
4-(4-ethylphenyl)pyrimidine-2-carboxamide
CID 116903987
1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
CID 116901436
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
CID 82085429
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone (CID 116901466) is 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone is CCOc1ccc(-c2ccnc(C(C)=O)n2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone?
The InChIKey is XMAXKEXWGBZAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-18-12-6-4-11(5-7-12)13-8-9-15-14(16-13)10(2)17/h4-9H,3H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone?
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone has a molecular weight of 242.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]ethanone is sourced from PubChem (CID 116901466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).