N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide

C21H22N4O — CID 109334736

IUPACN-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-4-16-9-11-17(12-10-16)23-20(26)19-13-15(3)22-21(25-19)24-18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyGOFIYGIGZLYBIB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

About N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide

N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109334736) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
PubChem CID109334736
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3C)n2)cc1
InChIInChI=1S/C21H22N4O/c1-4-16-9-11-17(12-10-16)23-20(26)19-13-15(3)22-21(25-19)24-18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyGOFIYGIGZLYBIB-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-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)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-(4-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334637
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
N-(4-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327398
2-(3-chloroanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336307
N-[4-(dimethylamino)phenyl]-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336288
2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
2-(butan-2-ylamino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109321277
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
6-methyl-2-(2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109333426
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109334845

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide (CID 109334736) is N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(C)nc(Nc3ccccc3C)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is GOFIYGIGZLYBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-9-11-17(12-10-16)23-20(26)19-13-15(3)22-21(25-19)24-18-8-6-5-7-14(18)2/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide?
N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-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-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).