8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

C10H13N3O3 — CID 166885375

IUPAC8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCC(=O)N1CCn2c(nc(O)c(C)c2=O)C1
InChIInChI=1S/C10H13N3O3/c1-6-9(15)11-8-5-12(7(2)14)3-4-13(8)10(6)16/h15H,3-5H2,1-2H3
InChIKeyLNEISYUEEDEBHD-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.38
Rot. Bonds

About 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one

8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 166885375) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
PubChem CID166885375
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCC(=O)N1CCn2c(nc(O)c(C)c2=O)C1
InChIInChI=1S/C10H13N3O3/c1-6-9(15)11-8-5-12(7(2)14)3-4-13(8)10(6)16/h15H,3-5H2,1-2H3
InChIKeyLNEISYUEEDEBHD-UHFFFAOYSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one (CID 166885375) is 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is CC(=O)N1CCn2c(nc(O)c(C)c2=O)C1.
What is the InChIKey of 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is LNEISYUEEDEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-9(15)11-8-5-12(7(2)14)3-4-13(8)10(6)16/h15H,3-5H2,1-2H3.
What are the key properties of 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one?
8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 223.23 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-hydroxy-3-methyl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166885375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).