N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

C23H26N4O2 — CID 109316365

IUPACN-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)Nc3ccccc3C(C)(C)C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-5-29-17-12-10-16(11-13-17)25-22-24-15-14-20(27-22)21(28)26-19-9-7-6-8-18(19)23(2,3)4/h6-15H,5H2,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyJUZNQPBJOLWQFP-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.17
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109316365) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109316365
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)Nc3ccccc3C(C)(C)C)n2)cc1
InChIInChI=1S/C23H26N4O2/c1-5-29-17-12-10-16(11-13-17)25-22-24-15-14-20(27-22)21(28)26-19-9-7-6-8-18(19)23(2,3)4/h6-15H,5H2,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyJUZNQPBJOLWQFP-UHFFFAOYSA-N
XLogP5.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109316369
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
2-(tert-butylamino)-N-(2-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109311222
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304931
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
N-(2-tert-butylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268208
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (CID 109316365) is N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nccc(C(=O)Nc3ccccc3C(C)(C)C)n2)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is JUZNQPBJOLWQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-29-17-12-10-16(11-13-17)25-22-24-15-14-20(27-22)21(28)26-19-9-7-6-8-18(19)23(2,3)4/h6-15H,5H2,1-4H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).