N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide

C7H9N3O2 — CID 177366183

IUPACN-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O2/c1-5(11)9-4-6-8-3-2-7(12)10-6/h2-3H,4H2,1H3,(H,9,11)(H,8,10,12)
InChIKeyYNNGLGPCFMHDFT-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.59
Rot. Bonds2

About N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide

N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide (PubChem CID 177366183) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide
PubChem CID177366183
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nccc(=O)[nH]1
InChIInChI=1S/C7H9N3O2/c1-5(11)9-4-6-8-3-2-7(12)10-6/h2-3H,4H2,1H3,(H,9,11)(H,8,10,12)
InChIKeyYNNGLGPCFMHDFT-UHFFFAOYSA-N
XLogP-0.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide (CID 177366183) is N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide is CC(=O)NCc1nccc(=O)[nH]1.
What is the InChIKey of N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide?
The InChIKey is YNNGLGPCFMHDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(11)9-4-6-8-3-2-7(12)10-6/h2-3H,4H2,1H3,(H,9,11)(H,8,10,12).
What are the key properties of N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide?
N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide has a molecular weight of 167.17 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 177366183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).