N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide

C12H9Cl2N3O — CID 86618738

IUPACN-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-17(9-10(13)15-7-16-11(9)14)12(18)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyGPWLMOKLFYGREN-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.06
Rot. Bonds2

About N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide

N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide (PubChem CID 86618738) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide
PubChem CID86618738
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC NameN-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C12H9Cl2N3O/c1-17(9-10(13)15-7-16-11(9)14)12(18)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyGPWLMOKLFYGREN-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-6-chloropyrimidin-5-yl)-N-methylbenzamide
CID 86618739
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 12679001
N-(2-hydroxynaphthalen-1-yl)-N-methylbenzamide
CID 102142078
4-benzoyl-N-methyl-N-pyridin-2-ylbenzamide
CID 51051173
N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide
CID 101359093
N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
CID 123657226
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-methoxy-6-methylphenyl)-N-methylbenzamide
CID 68723005
N-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 142658948
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
CID 173432275
CID 173432275

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide?
The IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide (CID 86618738) is N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide.
What is the SMILES notation for N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide?
The canonical SMILES for N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1)c1c(Cl)ncnc1Cl.
What is the InChIKey of N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide?
The InChIKey is GPWLMOKLFYGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-17(9-10(13)15-7-16-11(9)14)12(18)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide?
N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide has a molecular weight of 282.13 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide is sourced from PubChem (CID 86618738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).