6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

C21H22N4O3 — CID 109357381

IUPAC6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3cc(OC)ccc3OC)ncn2)cc1
InChIInChI=1S/C21H22N4O3/c1-4-14-5-7-15(8-6-14)24-21(26)18-12-20(23-13-22-18)25-17-11-16(27-2)9-10-19(17)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyHGKKUDZHJXYCAT-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.05
Rot. Bonds7

About 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109357381) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109357381
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(Nc3cc(OC)ccc3OC)ncn2)cc1
InChIInChI=1S/C21H22N4O3/c1-4-14-5-7-15(8-6-14)24-21(26)18-12-20(23-13-22-18)25-17-11-16(27-2)9-10-19(17)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyHGKKUDZHJXYCAT-UHFFFAOYSA-N
XLogP4.05
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359207
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340512
5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (CID 109357381) is 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(Nc3cc(OC)ccc3OC)ncn2)cc1.
What is the InChIKey of 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HGKKUDZHJXYCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-14-5-7-15(8-6-14)24-21(26)18-12-20(23-13-22-18)25-17-11-16(27-2)9-10-19(17)28-3/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).