2-pyrimidin-2-ylacetamide

C6H7N3O — CID 53407661

IUPAC2-pyrimidin-2-ylacetamide
SMILESNC(=O)Cc1ncccn1
InChIInChI=1S/C6H7N3O/c7-5(10)4-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10)
InChIKeyQKYYCHBWOLRIJJ-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.50
Rot. Bonds2

About 2-pyrimidin-2-ylacetamide

2-pyrimidin-2-ylacetamide (PubChem CID 53407661) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylacetamide
PubChem CID53407661
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-pyrimidin-2-ylacetamide
SMILESNC(=O)Cc1ncccn1
InChIInChI=1S/C6H7N3O/c7-5(10)4-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10)
InChIKeyQKYYCHBWOLRIJJ-UHFFFAOYSA-N
XLogP-0.50
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylacetamide?
The IUPAC name of 2-pyrimidin-2-ylacetamide (CID 53407661) is 2-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-pyrimidin-2-ylacetamide is NC(=O)Cc1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylacetamide?
The InChIKey is QKYYCHBWOLRIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c7-5(10)4-6-8-2-1-3-9-6/h1-3H,4H2,(H2,7,10).
What are the key properties of 2-pyrimidin-2-ylacetamide?
2-pyrimidin-2-ylacetamide has a molecular weight of 137.14 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylacetamide is sourced from PubChem (CID 53407661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).