N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide

C22H24N4O — CID 109305170

IUPACN-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1nccc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-18-12-8-9-16(2)20(18)25-22-23-14-13-19(24-22)21(27)26(3)15-17-10-6-5-7-11-17/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyHMETUUVLSDLFJR-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.36
Rot. Bonds6

About N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide

N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109305170) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109305170
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1nccc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-4-18-12-8-9-16(2)20(18)25-22-23-14-13-19(24-22)21(27)26(3)15-17-10-6-5-7-11-17/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeyHMETUUVLSDLFJR-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305166
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317
ethyl 4-[[4-[benzyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305222
N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109305113
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide (CID 109305170) is N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide is CCc1cccc(C)c1Nc1nccc(C(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is HMETUUVLSDLFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-18-12-8-9-16(2)20(18)25-22-23-14-13-19(24-22)21(27)26(3)15-17-10-6-5-7-11-17/h5-14H,4,15H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide?
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109305170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).