N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide

C16H19N3O — CID 110857760

IUPACN-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nc(C)nc1C
InChIInChI=1S/C16H19N3O/c1-5-13-8-6-7-9-14(13)19-16(20)15-10(2)17-12(4)18-11(15)3/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeySPXBEFZWSSKMEE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.22
Rot. Bonds3

About N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide

N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide (PubChem CID 110857760) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
PubChem CID110857760
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(C)nc(C)nc1C
InChIInChI=1S/C16H19N3O/c1-5-13-8-6-7-9-14(13)19-16(20)15-10(2)17-12(4)18-11(15)3/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeySPXBEFZWSSKMEE-UHFFFAOYSA-N
XLogP3.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-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-[2-(hydroxymethyl)phenyl]-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 61497884
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
5-[(4,6-dimethylpyrimidin-2-yl)methyl]-N-(2-ethylphenyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 161063080
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
N-(2-ethylphenyl)-2,5,6-trimethyl-4-oxopyran-3-carboxamide
CID 14128614
2-chloro-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 114219422
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315
N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848484
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide (CID 110857760) is N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1c(C)nc(C)nc1C.
What is the InChIKey of N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is SPXBEFZWSSKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-5-13-8-6-7-9-14(13)19-16(20)15-10(2)17-12(4)18-11(15)3/h6-9H,5H2,1-4H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110857760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).