N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide

C12H9Cl2N3O — CID 86260174

IUPACN-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7(18)15-9-10(13)16-12(17-11(9)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,18)
InChIKeyXNJUBEFGQKIVEG-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.41
Rot. Bonds2

About N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide

N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide (PubChem CID 86260174) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
PubChem CID86260174
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-7(18)15-9-10(13)16-12(17-11(9)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,18)
InChIKeyXNJUBEFGQKIVEG-UHFFFAOYSA-N
XLogP3.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4,6-dichloro-2-phenylpyrimidin-5-yl)carbamate
CID 3852548
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)-4-(dimethylsulfamoyl)benzamide
CID 2097930
N-[4-(4-phenylquinazolin-2-yl)phenyl]acetamide
CID 4523406
2-phenylpyrimidine-4,6-dicarbonyl chloride
CID 71368048
N-[4-phenyl-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 21177324
N-(3-acetamido-2,6-dichloro-4-pyridinyl)acetamide
CID 162624908
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
N-(2,7-diphenylimidazo[1,2-a][1,3,5]triazin-4-yl)acetamide
CID 11045730
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347
N-(4-phenylphenyl)acetamide
CID 19998
[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate
CID 871154
acetic acid;2,4-diphenyl-1,3,5-triazine;ethane
CID 91591144

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide?
The IUPAC name of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide (CID 86260174) is N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide is CC(=O)Nc1c(Cl)nc(-c2ccccc2)nc1Cl.
What is the InChIKey of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide?
The InChIKey is XNJUBEFGQKIVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-7(18)15-9-10(13)16-12(17-11(9)14)8-5-3-2-4-6-8/h2-6H,1H3,(H,15,18).
What are the key properties of N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide?
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide has a molecular weight of 282.13 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 86260174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).