N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C21H22N4O — CID 109259548

IUPACN-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H22N4O/c1-2-17-10-6-7-11-19(17)25-20(26)18-14-23-21(24-15-18)22-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyHDJNYJBNFPEKKB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.95
Rot. Bonds7

About N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259548) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259548
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C21H22N4O/c1-2-17-10-6-7-11-19(17)25-20(26)18-14-23-21(24-15-18)22-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyHDJNYJBNFPEKKB-UHFFFAOYSA-N
XLogP3.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
N-(2-ethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159006
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259621

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259548) is N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is HDJNYJBNFPEKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-17-10-6-7-11-19(17)25-20(26)18-14-23-21(24-15-18)22-13-12-16-8-4-3-5-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).