6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C23H26N4O — CID 109370613

IUPAC6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(C)c(C)c2)nc(C)n1
InChIInChI=1S/C23H26N4O/c1-5-27(15-19-9-7-6-8-10-19)22-14-21(24-18(4)25-22)23(28)26-20-12-11-16(2)17(3)13-20/h6-14H,5,15H2,1-4H3,(H,26,28)
InChIKeyCTELJYBONAQJCC-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.68
Rot. Bonds6

About 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109370613) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109370613
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(C)c(C)c2)nc(C)n1
InChIInChI=1S/C23H26N4O/c1-5-27(15-19-9-7-6-8-10-19)22-14-21(24-18(4)25-22)23(28)26-20-12-11-16(2)17(3)13-20/h6-14H,5,15H2,1-4H3,(H,26,28)
InChIKeyCTELJYBONAQJCC-UHFFFAOYSA-N
XLogP4.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109281209
N-(3-chloro-4-methoxyphenyl)-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373325
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369404
N-(1,3-benzodioxol-5-yl)-6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxamide
CID 109369426

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109370613) is 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)Nc2ccc(C)c(C)c2)nc(C)n1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is CTELJYBONAQJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-27(15-19-9-7-6-8-10-19)22-14-21(24-18(4)25-22)23(28)26-20-12-11-16(2)17(3)13-20/h6-14H,5,15H2,1-4H3,(H,26,28).
What are the key properties of 6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.68, 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-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).