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

C10H17N3O — CID 118971895

IUPAC2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCCC1CC(=O)N2CCN(C)CC2=N1
InChIInChI=1S/C10H17N3O/c1-3-8-6-10(14)13-5-4-12(2)7-9(13)11-8/h8H,3-7H2,1-2H3
InChIKeyWHJQNODLGDBMEZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.34
Rot. Bonds1

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

2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one (PubChem CID 118971895) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
PubChem CID118971895
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
SMILESCCC1CC(=O)N2CCN(C)CC2=N1
InChIInChI=1S/C10H17N3O/c1-3-8-6-10(14)13-5-4-12(2)7-9(13)11-8/h8H,3-7H2,1-2H3
InChIKeyWHJQNODLGDBMEZ-UHFFFAOYSA-N
XLogP0.34
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,6,7,8,9-Hexahydro-2H-pyrido(1,2-a)pyrimidin-6-one
CID 4155373
2-ethyl-2-methyl-6,7,8,9-tetrahydro-3H-pyrido[1,2-a]pyrimidin-4-one
CID 70188325
(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 90089630
8-propyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
CID 118966785
2,8-diethyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one
CID 118971899
4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 123442516
1,2-Dimethyl-5-(piperidin-1-ylmethyl)-4,5-dihydropyrimidin-6-one
CID 141822298
ethane;2-methyl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 141822343
1,2-dimethyl-4-(piperidin-1-ylmethyl)-4H-imidazol-5-one;ethane
CID 141822382
1,2-Dimethyl-4-(piperidin-1-ylmethyl)-4,5-dihydropyrimidin-6-one;ethane
CID 141822408
6-Methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]pyrimidin-4-one
CID 150523962
2-methyl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 141822344

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one (CID 118971895) is 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one is CCC1CC(=O)N2CCN(C)CC2=N1.
What is the InChIKey of 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is WHJQNODLGDBMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-8-6-10(14)13-5-4-12(2)7-9(13)11-8/h8H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one?
2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methyl-3,6,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118971895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).