5-acetyl-3,4-dihydro-1H-pyrimidin-2-one

C6H8N2O2 — CID 67924386

IUPAC5-acetyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=CNC(=O)NC1
InChIInChI=1S/C6H8N2O2/c1-4(9)5-2-7-6(10)8-3-5/h2H,3H2,1H3,(H2,7,8,10)
InChIKeyOGLPLJRSBOXSGE-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.23
Rot. Bonds1

About 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 67924386) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID67924386
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-acetyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=CNC(=O)NC1
InChIInChI=1S/C6H8N2O2/c1-4(9)5-2-7-6(10)8-3-5/h2H,3H2,1H3,(H2,7,8,10)
InChIKeyOGLPLJRSBOXSGE-UHFFFAOYSA-N
XLogP-0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one (CID 67924386) is 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=CNC(=O)NC1.
What is the InChIKey of 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is OGLPLJRSBOXSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4(9)5-2-7-6(10)8-3-5/h2H,3H2,1H3,(H2,7,8,10).
What are the key properties of 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 140.14 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 67924386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).