N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide

C13H11Cl2N3O — CID 110864422

IUPACN-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2N3O/c1-7-11(8(2)17-6-16-7)13(19)18-10-5-3-4-9(14)12(10)15/h3-6H,1-2H3,(H,18,19)
InChIKeyRZCHSRAHOVMXBU-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.65
Rot. Bonds2

About N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide

N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide (PubChem CID 110864422) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
PubChem CID110864422
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
SMILESCc1ncnc(C)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H11Cl2N3O/c1-7-11(8(2)17-6-16-7)13(19)18-10-5-3-4-9(14)12(10)15/h3-6H,1-2H3,(H,18,19)
InChIKeyRZCHSRAHOVMXBU-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-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
N-(2,3-dichlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402707
N-(2,3-dichlorophenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271537
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 42110981
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
4,6-dimethyl-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 110865190
N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide (CID 110864422) is N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide is Cc1ncnc(C)c1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide?
The InChIKey is RZCHSRAHOVMXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-11(8(2)17-6-16-7)13(19)18-10-5-3-4-9(14)12(10)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide?
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-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-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110864422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).