6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C21H22N4O — CID 109347444

IUPAC6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCc3ccc(C)cc3)ncn2)cc1
InChIInChI=1S/C21H22N4O/c1-3-16-8-10-18(11-9-16)25-20-12-19(23-14-24-20)21(26)22-13-17-6-4-15(2)5-7-17/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyJGRPEKWVEHJJJE-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.02
Rot. Bonds6

About 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109347444) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109347444
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCc1ccc(Nc2cc(C(=O)NCc3ccc(C)cc3)ncn2)cc1
InChIInChI=1S/C21H22N4O/c1-3-16-8-10-18(11-9-16)25-20-12-19(23-14-24-20)21(26)22-13-17-6-4-15(2)5-7-17/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyJGRPEKWVEHJJJE-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
6-(4-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338528
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
6-(2,3-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347442

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109347444) is 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is CCc1ccc(Nc2cc(C(=O)NCc3ccc(C)cc3)ncn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is JGRPEKWVEHJJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-16-8-10-18(11-9-16)25-20-12-19(23-14-24-20)21(26)22-13-17-6-4-15(2)5-7-17/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).