2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

C21H22N4O — CID 109265294

IUPAC2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-10-7-9-15(3)19(16)25-21-22-12-17(13-23-21)20(26)24-18-11-6-5-8-14(18)2/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyKUHICGBZBHLDAY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

About 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265294) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265294
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C21H22N4O/c1-4-16-10-7-9-15(3)19(16)25-21-22-12-17(13-23-21)20(26)24-18-11-6-5-8-14(18)2/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyKUHICGBZBHLDAY-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109267775
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
methyl 3-[[2-(2-ethyl-6-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267789
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
CID 109267799
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
2-(2,4-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267749
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
N-(2-chlorophenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268171
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 109265294) is 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is CCc1cccc(C)c1Nc1ncc(C(=O)Nc2ccccc2C)cn1.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is KUHICGBZBHLDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-10-7-9-15(3)19(16)25-21-22-12-17(13-23-21)20(26)24-18-11-6-5-8-14(18)2/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).