(5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C17H26N4O3 — CID 97116191

IUPAC(5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@H]1CCCOC12CCN(c1cc(N3CCOCC3)ncn1)CC2
InChIInChI=1S/C17H26N4O3/c22-14-2-1-9-24-17(14)3-5-20(6-4-17)15-12-16(19-13-18-15)21-7-10-23-11-8-21/h12-14,22H,1-11H2/t14-/m0/s1
InChIKeyFYOZWKJVFBXJBS-AWEZNQCLSA-N
MW334.42 g/mol
LogP0.82
Rot. Bonds2

About (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 97116191) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID97116191
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@H]1CCCOC12CCN(c1cc(N3CCOCC3)ncn1)CC2
InChIInChI=1S/C17H26N4O3/c22-14-2-1-9-24-17(14)3-5-20(6-4-17)15-12-16(19-13-18-15)21-7-10-23-11-8-21/h12-14,22H,1-11H2/t14-/m0/s1
InChIKeyFYOZWKJVFBXJBS-AWEZNQCLSA-N
XLogP0.82
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol with MolForge

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Related Compounds

(5S)-9-(2-amino-6-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97188648
(1S,3R)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133131178
(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 72840438
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97148136
(1R,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736554
(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736555
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170415
1-cyclohexyl-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-2-one
CID 50950111
(5S)-9-(7-chloroquinolin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97200285
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72842183

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 97116191) is (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is O[C@H]1CCCOC12CCN(c1cc(N3CCOCC3)ncn1)CC2.
What is the InChIKey of (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is FYOZWKJVFBXJBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-14-2-1-9-24-17(14)3-5-20(6-4-17)15-12-16(19-13-18-15)21-7-10-23-11-8-21/h12-14,22H,1-11H2/t14-/m0/s1.
What are the key properties of (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 334.42 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(6-morpholin-4-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 97116191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).