2-pyrimidin-5-ylacetamide

C6H7N3O — CID 23086840

IUPAC2-pyrimidin-5-ylacetamide
SMILESNC(=O)Cc1cncnc1
InChIInChI=1S/C6H7N3O/c7-6(10)1-5-2-8-4-9-3-5/h2-4H,1H2,(H2,7,10)
InChIKeySGVWGCUNGMDSNR-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.50
Rot. Bonds2

About 2-pyrimidin-5-ylacetamide

2-pyrimidin-5-ylacetamide (PubChem CID 23086840) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-pyrimidin-5-ylacetamide
PubChem CID23086840
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-pyrimidin-5-ylacetamide
SMILESNC(=O)Cc1cncnc1
InChIInChI=1S/C6H7N3O/c7-6(10)1-5-2-8-4-9-3-5/h2-4H,1H2,(H2,7,10)
InChIKeySGVWGCUNGMDSNR-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-5-ylacetamide?
The IUPAC name of 2-pyrimidin-5-ylacetamide (CID 23086840) is 2-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-pyrimidin-5-ylacetamide is NC(=O)Cc1cncnc1.
What is the InChIKey of 2-pyrimidin-5-ylacetamide?
The InChIKey is SGVWGCUNGMDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c7-6(10)1-5-2-8-4-9-3-5/h2-4H,1H2,(H2,7,10).
What are the key properties of 2-pyrimidin-5-ylacetamide?
2-pyrimidin-5-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-5-ylacetamide is sourced from PubChem (CID 23086840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).