2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C18H22N6O2 — CID 118740848

IUPAC2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCOc1cc(N2CCC3(C2)CN(c2cccnc2)C(=O)CN3C)ncn1
InChIInChI=1S/C18H22N6O2/c1-22-10-17(25)24(14-4-3-6-19-9-14)12-18(22)5-7-23(11-18)15-8-16(26-2)21-13-20-15/h3-4,6,8-9,13H,5,7,10-12H2,1-2H3
InChIKeyGHASMBLPDZMFNE-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.81
Rot. Bonds3

About 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118740848) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118740848
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCOc1cc(N2CCC3(C2)CN(c2cccnc2)C(=O)CN3C)ncn1
InChIInChI=1S/C18H22N6O2/c1-22-10-17(25)24(14-4-3-6-19-9-14)12-18(22)5-7-23(11-18)15-8-16(26-2)21-13-20-15/h3-4,6,8-9,13H,5,7,10-12H2,1-2H3
InChIKeyGHASMBLPDZMFNE-UHFFFAOYSA-N
XLogP0.81
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 118740848) is 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is COc1cc(N2CCC3(C2)CN(c2cccnc2)C(=O)CN3C)ncn1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is GHASMBLPDZMFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-22-10-17(25)24(14-4-3-6-19-9-14)12-18(22)5-7-23(11-18)15-8-16(26-2)21-13-20-15/h3-4,6,8-9,13H,5,7,10-12H2,1-2H3.
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?
2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 354.41 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118740848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).