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

C8H15N3O — CID 15152398

IUPAC2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCN1CCN2C(=O)NCCC2C1
InChIInChI=1S/C8H15N3O/c1-10-4-5-11-7(6-10)2-3-9-8(11)12/h7H,2-6H2,1H3,(H,9,12)
InChIKeyJFMGFGMLTXXEHG-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.28
Rot. Bonds

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

2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (PubChem CID 15152398) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
PubChem CID15152398
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCN1CCN2C(=O)NCCC2C1
InChIInChI=1S/C8H15N3O/c1-10-4-5-11-7(6-10)2-3-9-8(11)12/h7H,2-6H2,1H3,(H,9,12)
InChIKeyJFMGFGMLTXXEHG-UHFFFAOYSA-N
XLogP-0.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Ethyloctahydro-2-methyl-6H-pyrazino(1,2-c)pyrimidin-6-one
CID 160000
(9aR)-6,6,8-trimethyl-N-propan-2-yl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 124873320
Octahydro-1H-pyrido(1,2-c)pyrimidin-1-one
CID 593007
Hexahydro-1H-pyrazino[1,2-c]pyrimidin-6(2H)-one
CID 11040917
2-Butyl-7-ethyloctahydro-6h-pyrazino[1,2-c]pyrimidin-6-one
CID 287793
6H-Pyrazino[1,2-c]pyrimidin-6-one, 7-ethyloctahydro-
CID 10856159
4-piperidin-1-yl-N-propylpiperidine-1-carboxamide
CID 14571194
(2-Methylpiperidin-1-yl)-piperazin-1-ylmethanone
CID 16795026
N-methyl-N-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 16795792
1-Methyl-3-(piperidin-4-yl)tetrahydropyrimidin-2(1h)-one
CID 18314261
1-Ethyl-3-piperidin-4-yl-1,3-diazinan-2-one
CID 18314274
1-(1-Ethylpiperidin-4-yl)-1,3-diazinan-2-one
CID 18340093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The IUPAC name of 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (CID 15152398) is 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The canonical SMILES for 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is CN1CCN2C(=O)NCCC2C1.
What is the InChIKey of 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The InChIKey is JFMGFGMLTXXEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-10-4-5-11-7(6-10)2-3-9-8(11)12/h7H,2-6H2,1H3,(H,9,12).
What are the key properties of 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one has a molecular weight of 169.23 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 15152398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).