(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone

C18H26N4O4 — CID 74235685

IUPAC(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C18H26N4O4/c23-15-2-1-9-26-18(15)3-5-21(6-4-18)16(24)14-12-19-17(20-13-14)22-7-10-25-11-8-22/h12-13,15,23H,1-11H2
InChIKeyMEFIXDAVAROYPM-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.46
Rot. Bonds2

About (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone

(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone (PubChem CID 74235685) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone
PubChem CID74235685
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C18H26N4O4/c23-15-2-1-9-26-18(15)3-5-21(6-4-18)16(24)14-12-19-17(20-13-14)22-7-10-25-11-8-22/h12-13,15,23H,1-11H2
InChIKeyMEFIXDAVAROYPM-UHFFFAOYSA-N
XLogP0.46
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone (CID 74235685) is (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(N2CCOCC2)nc1)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is MEFIXDAVAROYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c23-15-2-1-9-26-18(15)3-5-21(6-4-18)16(24)14-12-19-17(20-13-14)22-7-10-25-11-8-22/h12-13,15,23H,1-11H2.
What are the key properties of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone?
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(2-morpholin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 74235685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).