2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

C20H20N4O — CID 109265292

IUPAC2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3ccccc3C)cn2)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-8-10-17(11-9-15)23-20-21-12-16(13-22-20)19(25)24-18-7-5-4-6-14(18)2/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyDJHRRAAEQGYTQP-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.34
Rot. Bonds5

About 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265292) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265292
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3ccccc3C)cn2)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-8-10-17(11-9-15)23-20-21-12-16(13-22-20)19(25)24-18-7-5-4-6-14(18)2/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyDJHRRAAEQGYTQP-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109267526
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
ethyl 2-[[2-(4-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109265855
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 109265292) is 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)Nc3ccccc3C)cn2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is DJHRRAAEQGYTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-15-8-10-17(11-9-15)23-20-21-12-16(13-22-20)19(25)24-18-7-5-4-6-14(18)2/h4-13H,3H2,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).