N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide

C21H22N4O — CID 109266838

IUPACN-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-4-16-5-7-18(8-6-16)25-21-22-12-17(13-23-21)20(26)24-19-10-14(2)9-15(3)11-19/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyBXUDSXADEIWHHU-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide

N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109266838) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109266838
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1
InChIInChI=1S/C21H22N4O/c1-4-16-5-7-18(8-6-16)25-21-22-12-17(13-23-21)20(26)24-19-10-14(2)9-15(3)11-19/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyBXUDSXADEIWHHU-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-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-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109266885

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide (CID 109266838) is N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)Nc3cc(C)cc(C)c3)cn2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is BXUDSXADEIWHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-5-7-18(8-6-16)25-21-22-12-17(13-23-21)20(26)24-19-10-14(2)9-15(3)11-19/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide?
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).