N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide

C13H12N4O3 — CID 108520686

IUPACN-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ncccn2)c1
InChIInChI=1S/C13H12N4O3/c1-8-3-4-10(18)9(7-8)16-11(19)12(20)17-13-14-5-2-6-15-13/h2-7,18H,1H3,(H,16,19)(H,14,15,17,20)
InChIKeyGREMMYVBGPKYQE-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.07
Rot. Bonds2

About N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide

N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide (PubChem CID 108520686) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
PubChem CID108520686
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)Nc2ncccn2)c1
InChIInChI=1S/C13H12N4O3/c1-8-3-4-10(18)9(7-8)16-11(19)12(20)17-13-14-5-2-6-15-13/h2-7,18H,1H3,(H,16,19)(H,14,15,17,20)
InChIKeyGREMMYVBGPKYQE-UHFFFAOYSA-N
XLogP1.07
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxy-5-methylphenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108522685
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522760
N'-(2-hydroxy-5-methylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506700
N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
CID 44996588
N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512217
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108520093
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108519420

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide (CID 108520686) is N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide is Cc1ccc(O)c(NC(=O)C(=O)Nc2ncccn2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide?
The InChIKey is GREMMYVBGPKYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-3-4-10(18)9(7-8)16-11(19)12(20)17-13-14-5-2-6-15-13/h2-7,18H,1H3,(H,16,19)(H,14,15,17,20).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide?
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide has a molecular weight of 272.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide is sourced from PubChem (CID 108520686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).