2-(2H-pyrimidin-1-yl)acetamide

C6H9N3O — CID 22747793

IUPAC2-(2H-pyrimidin-1-yl)acetamide
SMILESNC(=O)CN1C=CC=NC1
InChIInChI=1S/C6H9N3O/c7-6(10)4-9-3-1-2-8-5-9/h1-3H,4-5H2,(H2,7,10)
InChIKeyCETBFSHNDYIMNQ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.67
Rot. Bonds2

About 2-(2H-pyrimidin-1-yl)acetamide

2-(2H-pyrimidin-1-yl)acetamide (PubChem CID 22747793) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-(2H-pyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2H-pyrimidin-1-yl)acetamide
PubChem CID22747793
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-(2H-pyrimidin-1-yl)acetamide
SMILESNC(=O)CN1C=CC=NC1
InChIInChI=1S/C6H9N3O/c7-6(10)4-9-3-1-2-8-5-9/h1-3H,4-5H2,(H2,7,10)
InChIKeyCETBFSHNDYIMNQ-UHFFFAOYSA-N
XLogP-0.67
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyrimidin-1-yl)acetamide?
The IUPAC name of 2-(2H-pyrimidin-1-yl)acetamide (CID 22747793) is 2-(2H-pyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(2H-pyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(2H-pyrimidin-1-yl)acetamide is NC(=O)CN1C=CC=NC1.
What is the InChIKey of 2-(2H-pyrimidin-1-yl)acetamide?
The InChIKey is CETBFSHNDYIMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(10)4-9-3-1-2-8-5-9/h1-3H,4-5H2,(H2,7,10).
What are the key properties of 2-(2H-pyrimidin-1-yl)acetamide?
2-(2H-pyrimidin-1-yl)acetamide has a molecular weight of 139.16 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyrimidin-1-yl)acetamide is sourced from PubChem (CID 22747793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).