6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C14H20N4O2 — CID 137009888

IUPAC6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCCc1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-2-11-16-12(7-14(20)17-11)18-6-5-10-9(8-18)3-4-13(19)15-10/h7,9-10H,2-6,8H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyAHJSBAOLMGODDG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.44
Rot. Bonds2

About 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 137009888) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID137009888
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCCc1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c1-2-11-16-12(7-14(20)17-11)18-6-5-10-9(8-18)3-4-13(19)15-10/h7,9-10H,2-6,8H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyAHJSBAOLMGODDG-UHFFFAOYSA-N
XLogP0.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 137009888) is 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is CCc1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1.
What is the InChIKey of 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is AHJSBAOLMGODDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-11-16-12(7-14(20)17-11)18-6-5-10-9(8-18)3-4-13(19)15-10/h7,9-10H,2-6,8H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 137009888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).