N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide

C20H19ClN4O — CID 109315533

IUPACN-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-3-14-6-4-5-7-17(14)24-20-22-11-10-18(25-20)19(26)23-16-9-8-15(21)12-13(16)2/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyKLDORSCHPMHNJO-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.00
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315533) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315533
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C20H19ClN4O/c1-3-14-6-4-5-7-17(14)24-20-22-11-10-18(25-20)19(26)23-16-9-8-15(21)12-13(16)2/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyKLDORSCHPMHNJO-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-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

2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315331
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
2-(4-chloro-2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312123
N-(2-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315653
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (CID 109315533) is N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is KLDORSCHPMHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-3-14-6-4-5-7-17(14)24-20-22-11-10-18(25-20)19(26)23-16-9-8-15(21)12-13(16)2/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).