N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide

C14H14N4O2 — CID 44996588

IUPACN-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ncccn2)c1C
InChIInChI=1S/C14H14N4O2/c1-9-5-3-6-11(10(9)2)17-12(19)13(20)18-14-15-7-4-8-16-14/h3-8H,1-2H3,(H,17,19)(H,15,16,18,20)
InChIKeyIPUIUWDJKZQWFF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.67
Rot. Bonds2

About N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide

N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide (PubChem CID 44996588) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
PubChem CID44996588
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ncccn2)c1C
InChIInChI=1S/C14H14N4O2/c1-9-5-3-6-11(10(9)2)17-12(19)13(20)18-14-15-7-4-8-16-14/h3-8H,1-2H3,(H,17,19)(H,15,16,18,20)
InChIKeyIPUIUWDJKZQWFF-UHFFFAOYSA-N
XLogP1.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.67
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

2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
1-(2-methylphenyl)-3-pyrimidin-2-ylurea
CID 6477188
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
4-amino-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 62156095
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512217

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide (CID 44996588) is N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide is Cc1cccc(NC(=O)C(=O)Nc2ncccn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide?
The InChIKey is IPUIUWDJKZQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-5-3-6-11(10(9)2)17-12(19)13(20)18-14-15-7-4-8-16-14/h3-8H,1-2H3,(H,17,19)(H,15,16,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide?
N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide has a molecular weight of 270.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide is sourced from PubChem (CID 44996588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).