N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

C23H26N4O2 — CID 109372182

IUPACN-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccc(C)cc3C)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-5-10-20(16(2)13-15)27-23(28)21-14-22(26-17(3)25-21)24-12-11-18-6-8-19(29-4)9-7-18/h5-10,13-14H,11-12H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyQPXRKJOYYXNGMB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.32
Rot. Bonds7

About N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109372182) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109372182
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccc(C)cc3C)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-15-5-10-20(16(2)13-15)27-23(28)21-14-22(26-17(3)25-21)24-12-11-18-6-8-19(29-4)9-7-18/h5-10,13-14H,11-12H2,1-4H3,(H,27,28)(H,24,25,26)
InChIKeyQPXRKJOYYXNGMB-UHFFFAOYSA-N
XLogP4.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-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

N-(3,5-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372185
N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372186
N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371784
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372201
N-(3-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372199
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-(2,4-dimethylphenyl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112848883
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109364496
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109372182) is N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)Nc3ccc(C)cc3C)nc(C)n2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is QPXRKJOYYXNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-5-10-20(16(2)13-15)27-23(28)21-14-22(26-17(3)25-21)24-12-11-18-6-8-19(29-4)9-7-18/h5-10,13-14H,11-12H2,1-4H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).