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

C13H18N4O2 — CID 136958049

IUPAC6-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCc1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C13H18N4O2/c1-8-14-11(6-13(19)15-8)17-5-4-10-9(7-17)2-3-12(18)16-10/h6,9-10H,2-5,7H2,1H3,(H,16,18)(H,14,15,19)
InChIKeyXRBLPWYFVIDUJW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.18
Rot. Bonds1

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

6-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 136958049) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(2-methyl-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-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID136958049
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCc1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C13H18N4O2/c1-8-14-11(6-13(19)15-8)17-5-4-10-9(7-17)2-3-12(18)16-10/h6,9-10H,2-5,7H2,1H3,(H,16,18)(H,14,15,19)
InChIKeyXRBLPWYFVIDUJW-UHFFFAOYSA-N
XLogP0.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-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-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 136958049) is 6-(2-methyl-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-methyl-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-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is Cc1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1.
What is the InChIKey of 6-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is XRBLPWYFVIDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-14-11(6-13(19)15-8)17-5-4-10-9(7-17)2-3-12(18)16-10/h6,9-10H,2-5,7H2,1H3,(H,16,18)(H,14,15,19).
What are the key properties of 6-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-(2-methyl-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 262.31 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-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 136958049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).