1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone

C13H11ClN2O2 — CID 12949055

IUPAC1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(CC(=O)c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C13H11ClN2O2/c1-18-13-7-11(15-8-16-13)6-12(17)9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyFRAXHBPEXHALKV-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone

1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone (PubChem CID 12949055) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
PubChem CID12949055
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(CC(=O)c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C13H11ClN2O2/c1-18-13-7-11(15-8-16-13)6-12(17)9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyFRAXHBPEXHALKV-UHFFFAOYSA-N
XLogP2.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone
CID 114560010
2-(6-chloropyrimidin-4-yl)-1-(4-fluorophenyl)ethanone
CID 18987685
1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
CID 113397442
4-cyclopentyl-1-(6-methoxypyrimidin-4-yl)butan-2-one
CID 113397431
(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 708347
4-chloro-N-(4-chlorophenyl)-6-[(6-methoxypyrimidin-4-yl)methylamino]-5-prop-1-en-2-ylpyridine-3-carboxamide;ethane
CID 145131091
4-(2,2-dimethylpropyl)-6-methoxypyrimidine
CID 167358390
4-[2-chloro-2-(5-chloro-2-iodophenyl)ethyl]-6-methoxypyrimidine
CID 114029843
2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
1-(4-chloro-3-fluorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanol
CID 107995606

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone (CID 12949055) is 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone is COc1cc(CC(=O)c2ccc(Cl)cc2)ncn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is FRAXHBPEXHALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-13-7-11(15-8-16-13)6-12(17)9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone?
1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone has a molecular weight of 262.70 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 12949055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).