N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide

C10H14N4O2 — CID 44996585

IUPACN-(2-methylpropyl)-N'-pyrimidin-2-yloxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ncccn1
InChIInChI=1S/C10H14N4O2/c1-7(2)6-13-8(15)9(16)14-10-11-4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,13,15)(H,11,12,14,16)
InChIKeyYASIIIDKEXUKKN-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.19
Rot. Bonds3

About N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide

N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide (PubChem CID 44996585) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-pyrimidin-2-yloxamide
PubChem CID44996585
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(2-methylpropyl)-N'-pyrimidin-2-yloxamide
SMILESCC(C)CNC(=O)C(=O)Nc1ncccn1
InChIInChI=1S/C10H14N4O2/c1-7(2)6-13-8(15)9(16)14-10-11-4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,13,15)(H,11,12,14,16)
InChIKeyYASIIIDKEXUKKN-UHFFFAOYSA-N
XLogP0.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.19
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-Acetamidopyrimidine
CID 273584
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
1,6-Dihydro-6-oxo-5-(4-pyrimidinylamino)-2-pyridinecarboxamide
CID 137631507
N-butyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 16189770
N-propyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2056701
(2S)-2-amino-5-(diaminomethylideneamino)-N-methyl-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 45102734
1-Ethyl-3-pyrimidin-2-ylurea
CID 90654975
2,2-dimethyl-N-(pyrimidin-2-yl)propanamide
CID 3524781
N-(2-pyrimidyl) butanamide
CID 4220870
3-methyl-N-pyrimidin-2-ylbutanamide
CID 4380196
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide?
The IUPAC name of N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide (CID 44996585) is N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide is CC(C)CNC(=O)C(=O)Nc1ncccn1.
What is the InChIKey of N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide?
The InChIKey is YASIIIDKEXUKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7(2)6-13-8(15)9(16)14-10-11-4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,13,15)(H,11,12,14,16).
What are the key properties of N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide?
N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide has a molecular weight of 222.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide is sourced from PubChem (CID 44996585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).