(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

C18H28N4O3 — CID 124736555

IUPAC(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@H](O)C12CCN(c1cc(N3CCOCC3)ncn1)CC2
InChIInChI=1S/C18H28N4O3/c1-2-25-15-11-14(23)18(15)3-5-21(6-4-18)16-12-17(20-13-19-16)22-7-9-24-10-8-22/h12-15,23H,2-11H2,1H3/t14-,15-/m0/s1
InChIKeyOZXWKDZSVMIYDH-GJZGRUSLSA-N
MW348.45 g/mol
LogP1.07
Rot. Bonds4

About (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 124736555) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID124736555
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@H]1C[C@H](O)C12CCN(c1cc(N3CCOCC3)ncn1)CC2
InChIInChI=1S/C18H28N4O3/c1-2-25-15-11-14(23)18(15)3-5-21(6-4-18)16-12-17(20-13-19-16)22-7-9-24-10-8-22/h12-15,23H,2-11H2,1H3/t14-,15-/m0/s1
InChIKeyOZXWKDZSVMIYDH-GJZGRUSLSA-N
XLogP1.07
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736554
(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
(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-ol
CID 97300110
(1R,3S)-7-[6-chloro-5-(methylamino)pyrimidin-4-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 99638716
(1S,3R)-3-ethoxy-7-(6-methylquinazolin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97100878
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
CID 97216279
(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 97216261
3-ethoxy-7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-azaspiro[3.5]nonan-1-ol
CID 167859325
(1R,3R)-7-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 97100876
(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97216316
4-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 86777838

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (CID 124736555) is (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is CCO[C@H]1C[C@H](O)C12CCN(c1cc(N3CCOCC3)ncn1)CC2.
What is the InChIKey of (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is OZXWKDZSVMIYDH-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-25-15-11-14(23)18(15)3-5-21(6-4-18)16-12-17(20-13-19-16)22-7-9-24-10-8-22/h12-15,23H,2-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 348.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 124736555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).