8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one

C13H18N4O2 — CID 50957279

IUPAC8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cc(N2CCC3(CC2)CNC(=O)C3)ncn1
InChIInChI=1S/C13H18N4O2/c1-19-12-6-10(15-9-16-12)17-4-2-13(3-5-17)7-11(18)14-8-13/h6,9H,2-5,7-8H2,1H3,(H,14,18)
InChIKeyNQBWIJWYQJMRJR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.59
Rot. Bonds2

About 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one

8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50957279) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50957279
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cc(N2CCC3(CC2)CNC(=O)C3)ncn1
InChIInChI=1S/C13H18N4O2/c1-19-12-6-10(15-9-16-12)17-4-2-13(3-5-17)7-11(18)14-8-13/h6,9H,2-5,7-8H2,1H3,(H,14,18)
InChIKeyNQBWIJWYQJMRJR-UHFFFAOYSA-N
XLogP0.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one (CID 50957279) is 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one is COc1cc(N2CCC3(CC2)CNC(=O)C3)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NQBWIJWYQJMRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-12-6-10(15-9-16-12)17-4-2-13(3-5-17)7-11(18)14-8-13/h6,9H,2-5,7-8H2,1H3,(H,14,18).
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one?
8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50957279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).