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

C21H22N4O — CID 109256137

IUPAC2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(C)cc2)cn1
InChIInChI=1S/C21H22N4O/c1-3-25(19-7-5-4-6-8-19)21-23-14-18(15-24-21)20(26)22-13-17-11-9-16(2)10-12-17/h4-12,14-15H,3,13H2,1-2H3,(H,22,26)
InChIKeyRLZSTEMGCOHYNC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.87
Rot. Bonds6

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

2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256137) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256137
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(C)cc2)cn1
InChIInChI=1S/C21H22N4O/c1-3-25(19-7-5-4-6-8-19)21-23-14-18(15-24-21)20(26)22-13-17-11-9-16(2)10-12-17/h4-12,14-15H,3,13H2,1-2H3,(H,22,26)
InChIKeyRLZSTEMGCOHYNC-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109258023
2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256126
2-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256934
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257611
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
5-N-ethyl-3-N-[(4-methylphenyl)methyl]-5-N-phenylpyridine-3,5-dicarboxamide
CID 109105299
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
2-(N-benzylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265734
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109256137) is 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is CCN(c1ccccc1)c1ncc(C(=O)NCc2ccc(C)cc2)cn1.
What is the InChIKey of 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RLZSTEMGCOHYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(19-7-5-4-6-8-19)21-23-14-18(15-24-21)20(26)22-13-17-11-9-16(2)10-12-17/h4-12,14-15H,3,13H2,1-2H3,(H,22,26).
What are the key properties of 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).