1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone

C14H14N2O3 — CID 116901463

IUPAC1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
SMILESCOc1ccc(-c2ccnc(C(C)=O)n2)c(OC)c1
InChIInChI=1S/C14H14N2O3/c1-9(17)14-15-7-6-12(16-14)11-5-4-10(18-2)8-13(11)19-3/h4-8H,1-3H3
InChIKeyFBYQVNVEHLEZTL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.36
Rot. Bonds4

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

1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone (PubChem CID 116901463) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
PubChem CID116901463
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone
SMILESCOc1ccc(-c2ccnc(C(C)=O)n2)c(OC)c1
InChIInChI=1S/C14H14N2O3/c1-9(17)14-15-7-6-12(16-14)11-5-4-10(18-2)8-13(11)19-3/h4-8H,1-3H3
InChIKeyFBYQVNVEHLEZTL-UHFFFAOYSA-N
XLogP2.36
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
CID 116904018
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901442
4-(2,4-dimethoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 175424034
2-(2,4-dimethoxyphenyl)-6-(2,6-dimethoxyphenyl)pyridine
CID 90670586
2-(2,4-dimethoxyphenyl)-4-methylpyridine-3-carboxylic acid
CID 102275828
2-(3-chloro-4-ethoxyphenyl)-4-(2,4-dimethoxyphenyl)pyrimidine
CID 175424050
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
1-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]ethanone
CID 116901514

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone (CID 116901463) is 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone is COc1ccc(-c2ccnc(C(C)=O)n2)c(OC)c1.
What is the InChIKey of 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone?
The InChIKey is FBYQVNVEHLEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)14-15-7-6-12(16-14)11-5-4-10(18-2)8-13(11)19-3/h4-8H,1-3H3.
What are the key properties of 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone?
1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone has a molecular weight of 258.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxyphenyl)pyrimidin-2-yl]ethanone is sourced from PubChem (CID 116901463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).