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

C22H24N4O — CID 109349425

IUPAC6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C22H24N4O/c1-4-26(14-18-10-6-5-7-11-18)21-13-20(23-15-24-21)22(27)25-19-12-8-9-16(2)17(19)3/h5-13,15H,4,14H2,1-3H3,(H,25,27)
InChIKeyNQPZUEHQOZCXFL-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.37
Rot. Bonds6

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

6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109349425) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109349425
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1cc(C(=O)Nc2cccc(C)c2C)ncn1
InChIInChI=1S/C22H24N4O/c1-4-26(14-18-10-6-5-7-11-18)21-13-20(23-15-24-21)22(27)25-19-12-8-9-16(2)17(19)3/h5-13,15H,4,14H2,1-3H3,(H,25,27)
InChIKeyNQPZUEHQOZCXFL-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.37
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]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
6-[benzyl(ethyl)amino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347151
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
6-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109354111
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
5-[benzyl(ethyl)amino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
6-[benzyl(methyl)amino]-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369384
5-(diethylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109286882
N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353533
2-[benzyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258481
N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (CID 109349425) is 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1cc(C(=O)Nc2cccc(C)c2C)ncn1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is NQPZUEHQOZCXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(14-18-10-6-5-7-11-18)21-13-20(23-15-24-21)22(27)25-19-12-8-9-16(2)17(19)3/h5-13,15H,4,14H2,1-3H3,(H,25,27).
What are the key properties of 6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
6-[benzyl(ethyl)amino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.37, 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-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).