2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109304931

IUPAC2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-27-18-11-9-17(10-12-18)24-21-22-14-13-19(25-21)20(26)23-15(2)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyDEWBZJFOHNULBV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.11
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109304931) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109304931
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-27-18-11-9-17(10-12-18)24-21-22-14-13-19(25-21)20(26)23-15(2)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyDEWBZJFOHNULBV-UHFFFAOYSA-N
XLogP4.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16954861
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953
N-(2-tert-butylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109316365
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
N-propan-2-yl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109295454
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317293
N-phenyl-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313546
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304896
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
N-butan-2-yl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109297361

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109304931) is 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is DEWBZJFOHNULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-27-18-11-9-17(10-12-18)24-21-22-14-13-19(25-21)20(26)23-15(2)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).