1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone

C14H14N2O3 — CID 116832795

IUPAC1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone
SMILESCOc1ccc(OC)c(C(=O)Cc2ccncn2)c1
InChIInChI=1S/C14H14N2O3/c1-18-11-3-4-14(19-2)12(8-11)13(17)7-10-5-6-15-9-16-10/h3-6,8-9H,7H2,1-2H3
InChIKeyCTNQKMLHIOZTJH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.92
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone

1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone (PubChem CID 116832795) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone
PubChem CID116832795
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone
SMILESCOc1ccc(OC)c(C(=O)Cc2ccncn2)c1
InChIInChI=1S/C14H14N2O3/c1-18-11-3-4-14(19-2)12(8-11)13(17)7-10-5-6-15-9-16-10/h3-6,8-9H,7H2,1-2H3
InChIKeyCTNQKMLHIOZTJH-UHFFFAOYSA-N
XLogP1.92
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
CID 116832844
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
1-(2,5-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063556
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669
1-(5-tert-butyl-2-methylphenyl)-2-pyrimidin-4-ylethanone
CID 116832806
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone (CID 116832795) is 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone is COc1ccc(OC)c(C(=O)Cc2ccncn2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone?
The InChIKey is CTNQKMLHIOZTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-11-3-4-14(19-2)12(8-11)13(17)7-10-5-6-15-9-16-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone?
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone has a molecular weight of 258.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone is sourced from PubChem (CID 116832795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).