2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109314853

IUPAC2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)23-20(26)18-11-12-22-21(24-18)25-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyJAGRGVICJMNVSG-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.49
Rot. Bonds6

About 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide

2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109314853) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109314853
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(Nc3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)23-20(26)18-11-12-22-21(24-18)25-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyJAGRGVICJMNVSG-UHFFFAOYSA-N
XLogP4.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335728
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314882
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109127582
2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219771
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109314853) is 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(Nc3cc(C)ccc3C)n2)cc1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is JAGRGVICJMNVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-27-17-9-7-16(8-10-17)23-20(26)18-11-12-22-21(24-18)25-19-13-14(2)5-6-15(19)3/h5-13H,4H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide?
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).