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

C15H21N3O — CID 117002110

IUPAC7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCc1cccc(N2CCC3CNCCN3C2=O)c1C
InChIInChI=1S/C15H21N3O/c1-11-4-3-5-14(12(11)2)18-8-6-13-10-16-7-9-17(13)15(18)19/h3-5,13,16H,6-10H2,1-2H3
InChIKeyWJVHJUBUKINKNE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.91
Rot. Bonds1

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

7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (PubChem CID 117002110) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
PubChem CID117002110
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESCc1cccc(N2CCC3CNCCN3C2=O)c1C
InChIInChI=1S/C15H21N3O/c1-11-4-3-5-14(12(11)2)18-8-6-13-10-16-7-9-17(13)15(18)19/h3-5,13,16H,6-10H2,1-2H3
InChIKeyWJVHJUBUKINKNE-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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CID 117015352
7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84626661
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
CID 79095358
2-[(3-methyl-2-pyridinyl)methyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 112651272
1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
CID 118115135
3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)benzonitrile
CID 68711694
7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002090
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
(4aS,7aS)-4-(2,3-dimethylphenyl)-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676041
6-(2,3-dimethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 73276828

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The IUPAC name of 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (CID 117002110) is 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The canonical SMILES for 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is Cc1cccc(N2CCC3CNCCN3C2=O)c1C.
What is the InChIKey of 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The InChIKey is WJVHJUBUKINKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-3-5-14(12(11)2)18-8-6-13-10-16-7-9-17(13)15(18)19/h3-5,13,16H,6-10H2,1-2H3.
What are the key properties of 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one has a molecular weight of 259.35 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 117002110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).