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

C16H19N3O — CID 110857329

IUPACN-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)nc(C)nc2C)c1
InChIInChI=1S/C16H19N3O/c1-9-6-7-10(2)14(8-9)19-16(20)15-11(3)17-13(5)18-12(15)4/h6-8H,1-5H3,(H,19,20)
InChIKeyIRJHULJGLAYACI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.27
Rot. Bonds2

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

N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide (PubChem CID 110857329) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
PubChem CID110857329
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c(C)nc(C)nc2C)c1
InChIInChI=1S/C16H19N3O/c1-9-6-7-10(2)14(8-9)19-16(20)15-11(3)17-13(5)18-12(15)4/h6-8H,1-5H3,(H,19,20)
InChIKeyIRJHULJGLAYACI-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
(2S)-2-(5-acetyl-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 25474370
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
N-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857256
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
N-(2,5-dimethylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474800
6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide (CID 110857329) is N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide is Cc1ccc(C)c(NC(=O)c2c(C)nc(C)nc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is IRJHULJGLAYACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-6-7-10(2)14(8-9)19-16(20)15-11(3)17-13(5)18-12(15)4/h6-8H,1-5H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide?
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 110857329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).