9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C18H27N3O2 — CID 72875871

IUPAC9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCc1cc(C2CCC2)nc(N2CCC3(CC2)OCCCC3O)n1
InChIInChI=1S/C18H27N3O2/c1-13-12-15(14-4-2-5-14)20-17(19-13)21-9-7-18(8-10-21)16(22)6-3-11-23-18/h12,14,16,22H,2-11H2,1H3
InChIKeyLSNVBRMFOHUYPA-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.56
Rot. Bonds2

About 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72875871) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72875871
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCc1cc(C2CCC2)nc(N2CCC3(CC2)OCCCC3O)n1
InChIInChI=1S/C18H27N3O2/c1-13-12-15(14-4-2-5-14)20-17(19-13)21-9-7-18(8-10-21)16(22)6-3-11-23-18/h12,14,16,22H,2-11H2,1H3
InChIKeyLSNVBRMFOHUYPA-UHFFFAOYSA-N
XLogP2.56
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72875871) is 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is Cc1cc(C2CCC2)nc(N2CCC3(CC2)OCCCC3O)n1.
What is the InChIKey of 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is LSNVBRMFOHUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-12-15(14-4-2-5-14)20-17(19-13)21-9-7-18(8-10-21)16(22)6-3-11-23-18/h12,14,16,22H,2-11H2,1H3.
What are the key properties of 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 317.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72875871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).