1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone

C14H12Cl2N2O — CID 62770130

IUPAC1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C14H12Cl2N2O/c1-8-11(9(2)19)7-17-14(18-8)6-10-12(15)4-3-5-13(10)16/h3-5,7H,6H2,1-2H3
InChIKeyUFNMHSTWTKOXLT-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.89
Rot. Bonds3

About 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone

1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 62770130) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone
PubChem CID62770130
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(Cc2c(Cl)cccc2Cl)nc1C
InChIInChI=1S/C14H12Cl2N2O/c1-8-11(9(2)19)7-17-14(18-8)6-10-12(15)4-3-5-13(10)16/h3-5,7H,6H2,1-2H3
InChIKeyUFNMHSTWTKOXLT-UHFFFAOYSA-N
XLogP3.89
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone (CID 62770130) is 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(Cc2c(Cl)cccc2Cl)nc1C.
What is the InChIKey of 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is UFNMHSTWTKOXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-8-11(9(2)19)7-17-14(18-8)6-10-12(15)4-3-5-13(10)16/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 295.17 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 62770130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).