2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109336231

IUPAC2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3CC)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-16-8-6-7-9-19(16)25-21(27)20-14-15(3)23-22(26-20)24-17-10-12-18(13-11-17)28-5-2/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLFCNFKIIIILBIU-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.74
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336231) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336231
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3CC)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-16-8-6-7-9-19(16)25-21(27)20-14-15(3)23-22(26-20)24-17-10-12-18(13-11-17)28-5-2/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLFCNFKIIIILBIU-UHFFFAOYSA-N
XLogP4.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-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-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
2-(4-ethoxyanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335167
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296
N-(2-ethylphenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109336259
N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329270
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335728
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109336231) is 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide is CCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3CC)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is LFCNFKIIIILBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-16-8-6-7-9-19(16)25-21(27)20-14-15(3)23-22(26-20)24-17-10-12-18(13-11-17)28-5-2/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).