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

C23H26N4O — CID 109329498

IUPAC2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)Nc2ccc(C)cc2C)n1
InChIInChI=1S/C23H26N4O/c1-5-27(15-19-9-7-6-8-10-19)23-24-18(4)14-21(26-23)22(28)25-20-12-11-16(2)13-17(20)3/h6-14H,5,15H2,1-4H3,(H,25,28)
InChIKeyHRWVEYGLGYOKRX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.68
Rot. Bonds6

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

2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109329498) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109329498
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C(=O)Nc2ccc(C)cc2C)n1
InChIInChI=1S/C23H26N4O/c1-5-27(15-19-9-7-6-8-10-19)23-24-18(4)14-21(26-23)22(28)25-20-12-11-16(2)13-17(20)3/h6-14H,5,15H2,1-4H3,(H,25,28)
InChIKeyHRWVEYGLGYOKRX-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

2-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329512
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109332221
N-(2,4-dimethylphenyl)-6-methyl-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109335215
2-[benzyl(ethyl)amino]-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329511
2-[benzyl(ethyl)amino]-N-tert-butyl-6-methylpyrimidine-4-carboxamide
CID 109329482
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329524
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
2-[benzyl(ethyl)amino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109329471
2-chloro-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219413
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109329498) is 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nc(C)cc(C(=O)Nc2ccc(C)cc2C)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HRWVEYGLGYOKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-27(15-19-9-7-6-8-10-19)23-24-18(4)14-21(26-23)22(28)25-20-12-11-16(2)13-17(20)3/h6-14H,5,15H2,1-4H3,(H,25,28).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-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 2-[benzyl(ethyl)amino]-N-(2,4-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).