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

C12H17N3O2 — CID 117002090

IUPAC7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESO=C1N(Cc2ccco2)CCC2CNCCN12
InChIInChI=1S/C12H17N3O2/c16-12-14(9-11-2-1-7-17-11)5-3-10-8-13-4-6-15(10)12/h1-2,7,10,13H,3-6,8-9H2
InChIKeyKEYGYCITXSOHLY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.88
Rot. Bonds2

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

7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (PubChem CID 117002090) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
PubChem CID117002090
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
SMILESO=C1N(Cc2ccco2)CCC2CNCCN12
InChIInChI=1S/C12H17N3O2/c16-12-14(9-11-2-1-7-17-11)5-3-10-8-13-4-6-15(10)12/h1-2,7,10,13H,3-6,8-9H2
InChIKeyKEYGYCITXSOHLY-UHFFFAOYSA-N
XLogP0.88
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(furan-2-ylmethyl)-3-piperidin-4-ylimidazolidin-2-one
CID 82383025
1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
CID 82384888
4-(furan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015329
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508
2-ethyl-1-(furan-2-ylmethyl)piperazine
CID 64938246
3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64957599
1-(furan-2-ylmethyl)-5-hydroxy-1,3-diazinan-2-one
CID 83698973
7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002110
2-[2-(2-oxo-1-pyridinyl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82906966
1-pyrrolidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84798422
2-[2-(2-methoxyphenoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095390
5-(bromomethyl)-3-(furan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 82380170

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The IUPAC name of 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one (CID 117002090) is 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one.
What is the SMILES notation for 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The canonical SMILES for 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is O=C1N(Cc2ccco2)CCC2CNCCN12.
What is the InChIKey of 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
The InChIKey is KEYGYCITXSOHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12-14(9-11-2-1-7-17-11)5-3-10-8-13-4-6-15(10)12/h1-2,7,10,13H,3-6,8-9H2.
What are the key properties of 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one?
7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 117002090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).