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

C12H16N4O3 — CID 50956275

IUPAC8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)CNC(=O)O3)ncn1
InChIInChI=1S/C12H16N4O3/c1-18-10-6-9(14-8-15-10)16-4-2-12(3-5-16)7-13-11(17)19-12/h6,8H,2-5,7H2,1H3,(H,13,17)
InChIKeyJNMIRFRTMYUDDJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.56
Rot. Bonds2

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

8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 50956275) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID50956275
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(N2CCC3(CC2)CNC(=O)O3)ncn1
InChIInChI=1S/C12H16N4O3/c1-18-10-6-9(14-8-15-10)16-4-2-12(3-5-16)7-13-11(17)19-12/h6,8H,2-5,7H2,1H3,(H,13,17)
InChIKeyJNMIRFRTMYUDDJ-UHFFFAOYSA-N
XLogP0.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 50956275) is 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1cc(N2CCC3(CC2)CNC(=O)O3)ncn1.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JNMIRFRTMYUDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-18-10-6-9(14-8-15-10)16-4-2-12(3-5-16)7-13-11(17)19-12/h6,8H,2-5,7H2,1H3,(H,13,17).
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 264.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 50956275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).