2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one

C11H19N3O — CID 118971899

IUPAC2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCCC1CC(=O)N2CCN(CC)CC2=N1
InChIInChI=1S/C11H19N3O/c1-3-9-7-11(15)14-6-5-13(4-2)8-10(14)12-9/h9H,3-8H2,1-2H3
InChIKeyFHOUGOVMAFAMER-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.73
Rot. Bonds2

About 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one

2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 118971899) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
PubChem CID118971899
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCCC1CC(=O)N2CCN(CC)CC2=N1
InChIInChI=1S/C11H19N3O/c1-3-9-7-11(15)14-6-5-13(4-2)8-10(14)12-9/h9H,3-8H2,1-2H3
InChIKeyFHOUGOVMAFAMER-UHFFFAOYSA-N
XLogP0.73
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one (CID 118971899) is 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one is CCC1CC(=O)N2CCN(CC)CC2=N1.
What is the InChIKey of 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is FHOUGOVMAFAMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9-7-11(15)14-6-5-13(4-2)8-10(14)12-9/h9H,3-8H2,1-2H3.
What are the key properties of 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118971899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).