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

C13H11Cl2N3O — CID 110864118

IUPACN-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(C)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-11-6-9(14)3-4-10(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyUYIYCBUDXKKGLO-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.65
Rot. Bonds2

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

N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110864118) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110864118
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(C)n1
InChIInChI=1S/C13H11Cl2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-11-6-9(14)3-4-10(11)15/h3-6H,1-2H3,(H,18,19)
InChIKeyUYIYCBUDXKKGLO-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

Analyze N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338146
N-(2,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324340
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326904
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319626
2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 110858050
N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131942915

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110864118) is N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)nc(C)n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is UYIYCBUDXKKGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-7-5-12(17-8(2)16-7)13(19)18-11-6-9(14)3-4-10(11)15/h3-6H,1-2H3,(H,18,19).
What are the key properties of N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(2,5-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-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110864118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).