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

C12H18N4O — CID 136989768

IUPAC4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3NCCCC3C2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-6-11(14-8-15-12)16-5-3-10-9(7-16)2-1-4-13-10/h6,8-10,13H,1-5,7H2,(H,14,15,17)
InChIKeyLTCWNVBXGJIBEX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.35
Rot. Bonds1

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

4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one (PubChem CID 136989768) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
PubChem CID136989768
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3NCCCC3C2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-6-11(14-8-15-12)16-5-3-10-9(7-16)2-1-4-13-10/h6,8-10,13H,1-5,7H2,(H,14,15,17)
InChIKeyLTCWNVBXGJIBEX-UHFFFAOYSA-N
XLogP0.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one (CID 136989768) is 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC3NCCCC3C2)nc[nH]1.
What is the InChIKey of 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The InChIKey is LTCWNVBXGJIBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-6-11(14-8-15-12)16-5-3-10-9(7-16)2-1-4-13-10/h6,8-10,13H,1-5,7H2,(H,14,15,17).
What are the key properties of 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136989768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).