N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide

C15H16N4O2 — CID 108512217

IUPACN'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ncccn2)c(C)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-10(2)12(11(3)8-9)18-13(20)14(21)19-15-16-5-4-6-17-15/h4-8H,1-3H3,(H,18,20)(H,16,17,19,21)
InChIKeyQMMZQCQIQUZULT-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.98
Rot. Bonds2

About N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide

N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108512217) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
PubChem CID108512217
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ncccn2)c(C)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-10(2)12(11(3)8-9)18-13(20)14(21)19-15-16-5-4-6-17-15/h4-8H,1-3H3,(H,18,20)(H,16,17,19,21)
InChIKeyQMMZQCQIQUZULT-UHFFFAOYSA-N
XLogP1.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
N-(3-chloropropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512188
N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512305
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 110299276
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107

Frequently Asked Questions

What is the IUPAC name of N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide (CID 108512217) is N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2ncccn2)c(C)c1.
What is the InChIKey of N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is QMMZQCQIQUZULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-10(2)12(11(3)8-9)18-13(20)14(21)19-15-16-5-4-6-17-15/h4-8H,1-3H3,(H,18,20)(H,16,17,19,21).
What are the key properties of N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide?
N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 284.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108512217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).