2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid

C8H8ClN3O3 — CID 58916623

IUPAC2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C8H8ClN3O3/c1-12(2)6(13)4-3-5(7(14)15)11-8(9)10-4/h3H,1-2H3,(H,14,15)
InChIKeyRZOKLRSGPNCXSU-UHFFFAOYSA-N
MW229.62 g/mol
LogP0.53
Rot. Bonds2

About 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid

2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid (PubChem CID 58916623) has the molecular formula C8H8ClN3O3 and a molecular weight of 229.62 g/mol. Its IUPAC name is 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid
PubChem CID58916623
Molecular FormulaC8H8ClN3O3
Molecular Weight229.62 g/mol
Exact Mass229.03
IUPAC Name2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)O)nc(Cl)n1
InChIInChI=1S/C8H8ClN3O3/c1-12(2)6(13)4-3-5(7(14)15)11-8(9)10-4/h3H,1-2H3,(H,14,15)
InChIKeyRZOKLRSGPNCXSU-UHFFFAOYSA-N
XLogP0.53
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine-4,6-dicarboxylic acid
CID 239360
2-Chloro-6-methylpyrimidine-4-carboxylic acid
CID 10535213
2,6-Dimethylpyrimidine-4-carboxylic acid
CID 17604765
6-Methylpyrimidine-4-carboxylic acid
CID 19018488
2,6-Dimethylpyrimidine-4-carboxylic acid hydrochloride
CID 137964234
6-Methylpyrimidine-4-carboxylic acid hydrochloride
CID 167720893
2-Amino-6-methylpyrimidine-4-carboxylic acid
CID 246646
2-Chloropyrimidine-4,6-dicarboxylic acid
CID 59608233
6-{[Ethyl(methyl)amino]methyl}-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 58431296
6-(Azetidin-1-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 58431370
6-[(Dimethylamino)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 58431409
6-[(Diethylamino)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 58431436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid (CID 58916623) is 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid is CN(C)C(=O)c1cc(C(=O)O)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid?
The InChIKey is RZOKLRSGPNCXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3/c1-12(2)6(13)4-3-5(7(14)15)11-8(9)10-4/h3H,1-2H3,(H,14,15).
What are the key properties of 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid?
2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid has a molecular weight of 229.62 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylcarbamoyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58916623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).