N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide

C21H22N4O — CID 109266377

IUPACN-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C21H22N4O/c1-4-25(18-8-6-5-7-9-18)21-22-13-17(14-23-21)20(26)24-19-11-10-15(2)12-16(19)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeySSVDKPXEMJAQJA-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide

N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109266377) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109266377
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)Nc2ccc(C)cc2C)cn1
InChIInChI=1S/C21H22N4O/c1-4-25(18-8-6-5-7-9-18)21-22-13-17(14-23-21)20(26)24-19-11-10-15(2)12-16(19)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeySSVDKPXEMJAQJA-UHFFFAOYSA-N
XLogP4.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
ethyl 4-[[2-(N-ethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267693
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
5-(N-ethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241654
2-(N-ethyl-3-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide (CID 109266377) is N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide is CCN(c1ccccc1)c1ncc(C(=O)Nc2ccc(C)cc2C)cn1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is SSVDKPXEMJAQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(18-8-6-5-7-9-18)21-22-13-17(14-23-21)20(26)24-19-11-10-15(2)12-16(19)3/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).