6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H24N4O — CID 109347151

IUPAC6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)NCc2cccc(C)c2)ncn1
InChIInChI=1S/C22H24N4O/c1-3-26(15-18-9-5-4-6-10-18)21-13-20(24-16-25-21)22(27)23-14-19-11-7-8-17(2)12-19/h4-13,16H,3,14-15H2,1-2H3,(H,23,27)
InChIKeyAZKDZTGKCBZAAM-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.74
Rot. Bonds7

About 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109347151) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109347151
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)NCc2cccc(C)c2)ncn1
InChIInChI=1S/C22H24N4O/c1-3-26(15-18-9-5-4-6-10-18)21-13-20(24-16-25-21)22(27)23-14-19-11-7-8-17(2)12-19/h4-13,16H,3,14-15H2,1-2H3,(H,23,27)
InChIKeyAZKDZTGKCBZAAM-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210168
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349425
6-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109349422
4-(diethylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210192
methyl 6-[(3-methylphenyl)methylcarbamoyl]pyrimidine-4-carboxylate
CID 118410954
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
N-benzyl-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
CID 109279650
2-N-benzyl-2-N-ethyl-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085684
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109347151) is 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)NCc2cccc(C)c2)ncn1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is AZKDZTGKCBZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-26(15-18-9-5-4-6-10-18)21-13-20(24-16-25-21)22(27)23-14-19-11-7-8-17(2)12-19/h4-13,16H,3,14-15H2,1-2H3,(H,23,27).
What are the key properties of 6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.74, 7 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-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).