N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide

C8H11N3O2 — CID 126580516

IUPACN-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
SMILESCON(C)C(=O)Cc1cncnc1
InChIInChI=1S/C8H11N3O2/c1-11(13-2)8(12)3-7-4-9-6-10-5-7/h4-6H,3H2,1-2H3
InChIKeyMZQBFEVGNROVNL-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.04
Rot. Bonds3

About N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide

N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide (PubChem CID 126580516) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
PubChem CID126580516
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC NameN-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
SMILESCON(C)C(=O)Cc1cncnc1
InChIInChI=1S/C8H11N3O2/c1-11(13-2)8(12)3-7-4-9-6-10-5-7/h4-6H,3H2,1-2H3
InChIKeyMZQBFEVGNROVNL-UHFFFAOYSA-N
XLogP0.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide?
The IUPAC name of N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide (CID 126580516) is N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide?
The canonical SMILES for N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide is CON(C)C(=O)Cc1cncnc1.
What is the InChIKey of N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide?
The InChIKey is MZQBFEVGNROVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(13-2)8(12)3-7-4-9-6-10-5-7/h4-6H,3H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide?
N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide has a molecular weight of 181.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide is sourced from PubChem (CID 126580516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).