6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109349416

IUPAC6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C21H22N4O/c1-3-25(14-17-7-5-4-6-8-17)20-13-19(22-15-23-20)21(26)24-18-11-9-16(2)10-12-18/h4-13,15H,3,14H2,1-2H3,(H,24,26)
InChIKeyDFJGSIMUDJOEKT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.06
Rot. Bonds6

About 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109349416) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109349416
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(C)cc2)ncn1
InChIInChI=1S/C21H22N4O/c1-3-25(14-17-7-5-4-6-8-17)20-13-19(22-15-23-20)21(26)24-18-11-9-16(2)10-12-18/h4-13,15H,3,14H2,1-2H3,(H,24,26)
InChIKeyDFJGSIMUDJOEKT-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113
6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349425
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347151
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370613
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335
N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109354129
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109349416) is 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(C)cc2)ncn1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DFJGSIMUDJOEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(14-17-7-5-4-6-8-17)20-13-19(22-15-23-20)21(26)24-18-11-9-16(2)10-12-18/h4-13,15H,3,14H2,1-2H3,(H,24,26).
What are the key properties of 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).