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

C21H21ClN4O — CID 109313098

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClN4O/c1-2-16-7-3-4-9-18(16)25-20(27)19-11-13-24-21(26-19)23-12-10-15-6-5-8-17(22)14-15/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyOXCAKLJBGNWLRO-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.60
Rot. Bonds7

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

2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313098) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109313098
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C21H21ClN4O/c1-2-16-7-3-4-9-18(16)25-20(27)19-11-13-24-21(26-19)23-12-10-15-6-5-8-17(22)14-15/h3-9,11,13-14H,2,10,12H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyOXCAKLJBGNWLRO-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

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Related Compounds

2-[2-(3-chlorophenyl)ethylamino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109313099
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
2-[2-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313125
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112901390
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide (CID 109313098) is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1ccnc(NCCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is OXCAKLJBGNWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-2-16-7-3-4-9-18(16)25-20(27)19-11-13-24-21(26-19)23-12-10-15-6-5-8-17(22)14-15/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-(2-ethylphenyl)pyrimidine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(2-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-(2-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).