2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109314974

IUPAC2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-4-16-6-9-17(10-7-16)23-20(26)19-11-12-22-21(25-19)24-18-8-5-14(2)15(3)13-18/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyAEIBNVDMBKPHKD-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.65
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314974) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109314974
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-4-16-6-9-17(10-7-16)23-20(26)19-11-12-22-21(25-19)24-18-8-5-14(2)15(3)13-18/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyAEIBNVDMBKPHKD-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-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315753
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315091
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
N-(4-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315784
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
ethyl 2-[[4-[(3,4-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315101
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (CID 109314974) is 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2ccnc(Nc3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is AEIBNVDMBKPHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-16-6-9-17(10-7-16)23-20(26)19-11-12-22-21(25-19)24-18-8-5-14(2)15(3)13-18/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-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-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).