2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one

C13H18N4O — CID 175822956

IUPAC2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C13H18N4O/c1-16-10-13(9-11(16)18)3-7-17(8-4-13)12-14-5-2-6-15-12/h2,5-6H,3-4,7-10H2,1H3
InChIKeyPWSVPUUYCGDMDO-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.93
Rot. Bonds1

About 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 175822956) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID175822956
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3ncccn3)CC2)CC1=O
InChIInChI=1S/C13H18N4O/c1-16-10-13(9-11(16)18)3-7-17(8-4-13)12-14-5-2-6-15-12/h2,5-6H,3-4,7-10H2,1H3
InChIKeyPWSVPUUYCGDMDO-UHFFFAOYSA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one (CID 175822956) is 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(c3ncccn3)CC2)CC1=O.
What is the InChIKey of 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PWSVPUUYCGDMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-10-13(9-11(16)18)3-7-17(8-4-13)12-14-5-2-6-15-12/h2,5-6H,3-4,7-10H2,1H3.
What are the key properties of 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 246.31 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 175822956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).