8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H22N4O2 — CID 56869320

IUPAC8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CC2)CNC(=O)O3)n1
InChIInChI=1S/C16H22N4O2/c1-11-9-13(12-3-2-4-12)19-14(18-11)20-7-5-16(6-8-20)10-17-15(21)22-16/h9,12H,2-8,10H2,1H3,(H,17,21)
InChIKeyFNKCDMPGAJDWDE-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.13
Rot. Bonds2

About 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 56869320) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID56869320
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CC2)CNC(=O)O3)n1
InChIInChI=1S/C16H22N4O2/c1-11-9-13(12-3-2-4-12)19-14(18-11)20-7-5-16(6-8-20)10-17-15(21)22-16/h9,12H,2-8,10H2,1H3,(H,17,21)
InChIKeyFNKCDMPGAJDWDE-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 56869320) is 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(C2CCC2)nc(N2CCC3(CC2)CNC(=O)O3)n1.
What is the InChIKey of 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FNKCDMPGAJDWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-9-13(12-3-2-4-12)19-14(18-11)20-7-5-16(6-8-20)10-17-15(21)22-16/h9,12H,2-8,10H2,1H3,(H,17,21).
What are the key properties of 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 302.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56869320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).