N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide

C13H11Cl2N3O — CID 110864036

IUPACN-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyJDXZJAGEPTUJTM-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.65
Rot. Bonds2

About N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110864036) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110864036
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2Cl)nc(C)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyJDXZJAGEPTUJTM-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
N-[3-chloro-4-(2,2-dimethylpropanoylamino)phenyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131933226
N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112849915
N-(2,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365493
N-(2,4-dichlorophenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329721
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453082
N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110864036) is N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)nc(C)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is JDXZJAGEPTUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-11-4-3-9(14)6-10(11)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110864036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).