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

C15H22N4O2 — CID 137009885

IUPAC6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCC(C)c1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O2/c1-9(2)15-17-12(7-14(21)18-15)19-6-5-11-10(8-19)3-4-13(20)16-11/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeySYMPVTWCOVICAF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.00
Rot. Bonds2

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

6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 137009885) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID137009885
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESCC(C)c1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C15H22N4O2/c1-9(2)15-17-12(7-14(21)18-15)19-6-5-11-10(8-19)3-4-13(20)16-11/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeySYMPVTWCOVICAF-UHFFFAOYSA-N
XLogP1.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 137009885) is 6-(6-oxo-2-propan-2-yl-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-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is CC(C)c1nc(N2CCC3NC(=O)CCC3C2)cc(=O)[nH]1.
What is the InChIKey of 6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is SYMPVTWCOVICAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-9(2)15-17-12(7-14(21)18-15)19-6-5-11-10(8-19)3-4-13(20)16-11/h7,9-11H,3-6,8H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of 6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 137009885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).