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

C13H24N4O2 — CID 117002088

IUPAC7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESO=C1N(CCN2CCOCC2)CCC2CNCCN12
InChIInChI=1S/C13H24N4O2/c18-13-16(6-5-15-7-9-19-10-8-15)3-1-12-11-14-2-4-17(12)13/h12,14H,1-11H2
InChIKeyYJIQZMIWYIUDRJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.58
Rot. Bonds3

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

7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (PubChem CID 117002088) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
PubChem CID117002088
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESO=C1N(CCN2CCOCC2)CCC2CNCCN12
InChIInChI=1S/C13H24N4O2/c18-13-16(6-5-15-7-9-19-10-8-15)3-1-12-11-14-2-4-17(12)13/h12,14H,1-11H2
InChIKeyYJIQZMIWYIUDRJ-UHFFFAOYSA-N
XLogP-0.58
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002090
2-[3-(oxolan-2-yl)propyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091376
2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82906966
2-(3-hydroxypropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092085
2-pentyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091777
2-(2-morpholin-4-yl-2-oxoethyl)-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80725657
(3aR,6aS)-5-(2-morpholin-4-ylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 46201661
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84798422
2-(2-methylpropyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;hydrochloride
CID 86811793
(8aS)-2-(4-hydroxy-3,3-dimethylbutyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137382689
2-(2-propylsulfonylethyl)-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106729433

Frequently Asked Questions

What is the IUPAC name of 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The IUPAC name of 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (CID 117002088) is 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The canonical SMILES for 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is O=C1N(CCN2CCOCC2)CCC2CNCCN12.
What is the InChIKey of 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The InChIKey is YJIQZMIWYIUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c18-13-16(6-5-15-7-9-19-10-8-15)3-1-12-11-14-2-4-17(12)13/h12,14H,1-11H2.
What are the key properties of 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one has a molecular weight of 268.36 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-morpholin-4-ylethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 117002088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).