2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109267526

IUPAC2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3ccccc3OC(C)C)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-16-9-11-18(12-10-16)25-22-23-13-17(14-24-22)21(27)26-19-7-5-6-8-20(19)28-15(2)3/h5-15H,4H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyWAEDZQWHXBQEFP-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.82
Rot. Bonds7

About 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109267526) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
PubChem CID109267526
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(Nc2ncc(C(=O)Nc3ccccc3OC(C)C)cn2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-16-9-11-18(12-10-16)25-22-23-13-17(14-24-22)21(27)26-19-7-5-6-8-20(19)28-15(2)3/h5-15H,4H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyWAEDZQWHXBQEFP-UHFFFAOYSA-N
XLogP4.82
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257339
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109266715
N-(2,3-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109267165
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (CID 109267526) is 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is CCc1ccc(Nc2ncc(C(=O)Nc3ccccc3OC(C)C)cn2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is WAEDZQWHXBQEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-16-9-11-18(12-10-16)25-22-23-13-17(14-24-22)21(27)26-19-7-5-6-8-20(19)28-15(2)3/h5-15H,4H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).