2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide

C21H22N4O — CID 109265763

IUPAC2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C21H22N4O/c1-4-25(19-7-5-6-16(3)12-19)21-22-13-17(14-23-21)20(26)24-18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyJAESUUCBJPYNTK-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds5

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

2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265763) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265763
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)Nc2ccc(C)cc2)cn1
InChIInChI=1S/C21H22N4O/c1-4-25(19-7-5-6-16(3)12-19)21-22-13-17(14-23-21)20(26)24-18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyJAESUUCBJPYNTK-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

N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
2-(N-ethyl-3-methylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268042
N-(3-chloro-4-methoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269318
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032
methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
2-(N-ethyl-3-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472
2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265734
ethyl 4-[[2-(N-ethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267693
N-(4-acetylphenyl)-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109200389

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide (CID 109265763) is 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide is CCN(c1cccc(C)c1)c1ncc(C(=O)Nc2ccc(C)cc2)cn1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is JAESUUCBJPYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(19-7-5-6-16(3)12-19)21-22-13-17(14-23-21)20(26)24-18-10-8-15(2)9-11-18/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide?
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)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 2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).