2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide

C21H22N4O2 — CID 109258023

IUPAC2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C21H22N4O2/c1-3-25(18-7-5-4-6-8-18)21-23-14-17(15-24-21)20(26)22-13-16-9-11-19(27-2)12-10-16/h4-12,14-15H,3,13H2,1-2H3,(H,22,26)
InChIKeyDUNGUWXDXLKVOB-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.57
Rot. Bonds7

About 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide

2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109258023) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109258023
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C21H22N4O2/c1-3-25(18-7-5-4-6-8-18)21-23-14-17(15-24-21)20(26)22-13-16-9-11-19(27-2)12-10-16/h4-12,14-15H,3,13H2,1-2H3,(H,22,26)
InChIKeyDUNGUWXDXLKVOB-UHFFFAOYSA-N
XLogP3.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256137
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256126
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257611
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
4-[ethyl(phenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2093106
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
5-(N-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192755

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 109258023) is 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide is CCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(OC)cc2)cn1.
What is the InChIKey of 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is DUNGUWXDXLKVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-25(18-7-5-4-6-8-18)21-23-14-17(15-24-21)20(26)22-13-16-9-11-19(27-2)12-10-16/h4-12,14-15H,3,13H2,1-2H3,(H,22,26).
What are the key properties of 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109258023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).