8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol

C12H16N2O3 — CID 59556106

IUPAC8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cncnc2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H16N2O3/c15-11(10-7-13-9-14-8-10)1-3-12(4-2-11)16-5-6-17-12/h7-9,15H,1-6H2
InChIKeyFPJPGSBHJRUASU-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.98
Rot. Bonds1

About 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol

8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 59556106) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID59556106
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cncnc2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H16N2O3/c15-11(10-7-13-9-14-8-10)1-3-12(4-2-11)16-5-6-17-12/h7-9,15H,1-6H2
InChIKeyFPJPGSBHJRUASU-UHFFFAOYSA-N
XLogP0.98
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol (CID 59556106) is 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2cncnc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is FPJPGSBHJRUASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(10-7-13-9-14-8-10)1-3-12(4-2-11)16-5-6-17-12/h7-9,15H,1-6H2.
What are the key properties of 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol?
8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 236.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 59556106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).