2-(pyrimidin-5-ylmethylamino)oxyacetamide

C7H10N4O2 — CID 112672662

IUPAC2-(pyrimidin-5-ylmethylamino)oxyacetamide
SMILESNC(=O)CONCc1cncnc1
InChIInChI=1S/C7H10N4O2/c8-7(12)4-13-11-3-6-1-9-5-10-2-6/h1-2,5,11H,3-4H2,(H2,8,12)
InChIKeyYREJHOAIQKEZCL-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.02
Rot. Bonds5

About 2-(pyrimidin-5-ylmethylamino)oxyacetamide

2-(pyrimidin-5-ylmethylamino)oxyacetamide (PubChem CID 112672662) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(pyrimidin-5-ylmethylamino)oxyacetamide.

Molecular Properties

Compound Name2-(pyrimidin-5-ylmethylamino)oxyacetamide
PubChem CID112672662
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(pyrimidin-5-ylmethylamino)oxyacetamide
SMILESNC(=O)CONCc1cncnc1
InChIInChI=1S/C7H10N4O2/c8-7(12)4-13-11-3-6-1-9-5-10-2-6/h1-2,5,11H,3-4H2,(H2,8,12)
InChIKeyYREJHOAIQKEZCL-UHFFFAOYSA-N
XLogP-1.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-[(3,5-dichlorophenyl)methylamino]oxyacetamide
CID 112672702
2-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874
2-[(3-methylimidazol-4-yl)methylamino]oxyacetamide
CID 112672694
2-[(4-phenylphenyl)methylamino]oxyacetamide
CID 112673244
carbamothioic S-acid;pyrimidin-5-ylmethylcarbamothioic S-acid
CID 89413158
2-[(4-ethoxyphenyl)methylamino]oxyacetamide
CID 112673119
2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
CID 112673660
2-[[4-(trifluoromethoxy)phenyl]methylamino]oxyacetamide
CID 112673035
2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672866
3-pyrimidin-5-ylpropanamide
CID 91363418
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-5-ylmethylamino)oxyacetamide?
The IUPAC name of 2-(pyrimidin-5-ylmethylamino)oxyacetamide (CID 112672662) is 2-(pyrimidin-5-ylmethylamino)oxyacetamide.
What is the SMILES notation for 2-(pyrimidin-5-ylmethylamino)oxyacetamide?
The canonical SMILES for 2-(pyrimidin-5-ylmethylamino)oxyacetamide is NC(=O)CONCc1cncnc1.
What is the InChIKey of 2-(pyrimidin-5-ylmethylamino)oxyacetamide?
The InChIKey is YREJHOAIQKEZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-7(12)4-13-11-3-6-1-9-5-10-2-6/h1-2,5,11H,3-4H2,(H2,8,12).
What are the key properties of 2-(pyrimidin-5-ylmethylamino)oxyacetamide?
2-(pyrimidin-5-ylmethylamino)oxyacetamide has a molecular weight of 182.18 g/mol, XLogP of -1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-5-ylmethylamino)oxyacetamide is sourced from PubChem (CID 112672662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).