2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide

C21H21ClN4O — CID 109313099

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(NCCc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H21ClN4O/c1-2-15-6-8-18(9-7-15)25-20(27)19-11-13-24-21(26-19)23-12-10-16-4-3-5-17(22)14-16/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyPSMMWVYMGGUYLK-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.60
Rot. Bonds7

About 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313099) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109313099
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(NCCc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H21ClN4O/c1-2-15-6-8-18(9-7-15)25-20(27)19-11-13-24-21(26-19)23-12-10-16-4-3-5-17(22)14-16/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyPSMMWVYMGGUYLK-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)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-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112901452
2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313125
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419
N-(4-ethylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307225
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
2-[2-(4-chlorophenyl)ethylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109309781
4-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109218509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide (CID 109313099) is 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2ccnc(NCCc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is PSMMWVYMGGUYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-15-6-8-18(9-7-15)25-20(27)19-11-13-24-21(26-19)23-12-10-16-4-3-5-17(22)14-16/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).