N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide

C8H11N3O2 — CID 88931076

IUPACN-methoxy-2-(5-methylpyrimidin-2-yl)acetamide
SMILESCONC(=O)Cc1ncc(C)cn1
InChIInChI=1S/C8H11N3O2/c1-6-4-9-7(10-5-6)3-8(12)11-13-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeySFLLPLOGBOZUTR-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.01
Rot. Bonds3

About N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide

N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide (PubChem CID 88931076) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-2-(5-methylpyrimidin-2-yl)acetamide
PubChem CID88931076
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-methoxy-2-(5-methylpyrimidin-2-yl)acetamide
SMILESCONC(=O)Cc1ncc(C)cn1
InChIInChI=1S/C8H11N3O2/c1-6-4-9-7(10-5-6)3-8(12)11-13-2/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeySFLLPLOGBOZUTR-UHFFFAOYSA-N
XLogP0.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
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-2-(5-methylpyrimidin-2-yl)acetamide?
The IUPAC name of N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide (CID 88931076) is N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide is CONC(=O)Cc1ncc(C)cn1.
What is the InChIKey of N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide?
The InChIKey is SFLLPLOGBOZUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-4-9-7(10-5-6)3-8(12)11-13-2/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide?
N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(5-methylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 88931076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).