N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide

C14H14ClN3O — CID 110859165

IUPACN-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2C)nc(C)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-11(15)4-5-12(8)18-14(19)13-7-9(2)16-10(3)17-13/h4-7H,1-3H3,(H,18,19)
InChIKeyHSNNKNQNXUQVCA-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.31
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110859165) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110859165
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2C)nc(C)n1
InChIInChI=1S/C14H14ClN3O/c1-8-6-11(15)4-5-12(8)18-14(19)13-7-9(2)16-10(3)17-13/h4-7H,1-3H3,(H,18,19)
InChIKeyHSNNKNQNXUQVCA-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-methylphenyl)-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-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
6-(tert-butylamino)-N-(4-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373700
6-chloro-N-(4-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 103336937
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322360
2-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334377
N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362045
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335400
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696195

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110859165) is N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2C)nc(C)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is HSNNKNQNXUQVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-6-11(15)4-5-12(8)18-14(19)13-7-9(2)16-10(3)17-13/h4-7H,1-3H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110859165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).