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

C17H25N5O3 — CID 50970181

IUPAC8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCc1cc(N2CCC3(CC2)CNC(=O)O3)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N5O3/c1-2-13-11-14(20-15(19-13)22-7-9-24-10-8-22)21-5-3-17(4-6-21)12-18-16(23)25-17/h11H,2-10,12H2,1H3,(H,18,23)
InChIKeyLBCSYUOZGUYQRZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.95
Rot. Bonds3

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

8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 50970181) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID50970181
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCc1cc(N2CCC3(CC2)CNC(=O)O3)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N5O3/c1-2-13-11-14(20-15(19-13)22-7-9-24-10-8-22)21-5-3-17(4-6-21)12-18-16(23)25-17/h11H,2-10,12H2,1H3,(H,18,23)
InChIKeyLBCSYUOZGUYQRZ-UHFFFAOYSA-N
XLogP0.95
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 50970181) is 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCc1cc(N2CCC3(CC2)CNC(=O)O3)nc(N2CCOCC2)n1.
What is the InChIKey of 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LBCSYUOZGUYQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-2-13-11-14(20-15(19-13)22-7-9-24-10-8-22)21-5-3-17(4-6-21)12-18-16(23)25-17/h11H,2-10,12H2,1H3,(H,18,23).
What are the key properties of 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 50970181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).