(8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane

C14H21N3O3 — CID 124793963

IUPAC(8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@@H]1CCOC2(C1)CN(c1cc(OC)ncn1)C2
InChIInChI=1S/C14H21N3O3/c1-3-19-11-4-5-20-14(7-11)8-17(9-14)12-6-13(18-2)16-10-15-12/h6,10-11H,3-5,7-9H2,1-2H3/t11-/m1/s1
InChIKeyCDQGPYOJVDUFDT-LLVKDONJSA-N
MW279.34 g/mol
LogP1.26
Rot. Bonds4

About (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane

(8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124793963) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124793963
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCCO[C@@H]1CCOC2(C1)CN(c1cc(OC)ncn1)C2
InChIInChI=1S/C14H21N3O3/c1-3-19-11-4-5-20-14(7-11)8-17(9-14)12-6-13(18-2)16-10-15-12/h6,10-11H,3-5,7-9H2,1-2H3/t11-/m1/s1
InChIKeyCDQGPYOJVDUFDT-LLVKDONJSA-N
XLogP1.26
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4aS,9aS)-7-(6-methoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511034
rel-(1R,3S)-3-[2-(dimethylamino)ethoxy]-7-(4-methoxy-2-pyrimidinyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 72857571
(4aR,9aR)-4-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511094
8-(6-Methoxypyrimidin-4-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 118738728
8-(6-Methoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118745535
6-methoxy-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrimidin-4-amine
CID 95147920
(2S)-4-(6-methoxypyrimidin-4-yl)-2-methylmorpholine
CID 97325062
(3S,4S)-4-ethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3,4-diol
CID 164639878
8-Ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155850741
2-[[2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155861702
6-methoxy-N-methyl-N-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pyrimidin-4-amine
CID 50984048
1-(2-Methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396285

Frequently Asked Questions

What is the IUPAC name of (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124793963) is (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane is CCO[C@@H]1CCOC2(C1)CN(c1cc(OC)ncn1)C2.
What is the InChIKey of (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is CDQGPYOJVDUFDT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-19-11-4-5-20-14(7-11)8-17(9-14)12-6-13(18-2)16-10-15-12/h6,10-11H,3-5,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 279.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-ethoxy-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124793963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).