2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

C20H20N4O — CID 109265488

IUPAC2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-7-9-17(10-8-15)24-20-21-12-16(13-22-20)19(25)23-18-6-4-5-14(2)11-18/h4-13H,3H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVOFAEUYBRDJFRI-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.34
Rot. Bonds5

About 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265488) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265488
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3cccc(C)c3)cn2)cc1
InChIInChI=1S/C20H20N4O/c1-3-15-7-9-17(10-8-15)24-20-21-12-16(13-22-20)19(25)23-18-6-4-5-14(2)11-18/h4-13H,3H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVOFAEUYBRDJFRI-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

N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241837
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 109265488) is 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)Nc3cccc(C)c3)cn2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is VOFAEUYBRDJFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-15-7-9-17(10-8-15)24-20-21-12-16(13-22-20)19(25)23-18-6-4-5-14(2)11-18/h4-13H,3H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
2-(4-ethylanilino)-N-(3-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-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).