9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C16H25N3O2 — CID 72842183

IUPAC9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCCc1nc(N2CCC3(CC2)OCCCC3O)ncc1C
InChIInChI=1S/C16H25N3O2/c1-3-13-12(2)11-17-15(18-13)19-8-6-16(7-9-19)14(20)5-4-10-21-16/h11,14,20H,3-10H2,1-2H3
InChIKeyHHPFSLFXXMHYCQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.86
Rot. Bonds2

About 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 72842183) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID72842183
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCCc1nc(N2CCC3(CC2)OCCCC3O)ncc1C
InChIInChI=1S/C16H25N3O2/c1-3-13-12(2)11-17-15(18-13)19-8-6-16(7-9-19)14(20)5-4-10-21-16/h11,14,20H,3-10H2,1-2H3
InChIKeyHHPFSLFXXMHYCQ-UHFFFAOYSA-N
XLogP1.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Ethyl-5-methyl-2-pyrimidinyl)-4-(hydroxymethyl)-4-azepanol
CID 56891460
[1-(4-Ethyl-5-methyl-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72848953
9-(4-Cyclobutyl-6-methylpyrimidin-2-YL)-1-oxa-9-azaspiro[5.5]undecan-5-OL
CID 72875871
(1R*,3S*)-7-(4-ethyl-5-methyl-2-pyrimidinyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72891186
(3R,4S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 164633472
9-[4-(Trifluoromethyl)-2-pyrimidinyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72862989
(5R)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97120017
(5S)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97120018
rel-(3S,4R)-9-{[4-methyl-2-(trifluoromethyl)-5-pyrimidinyl]methyl}-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 163306146
rel-(4R,5S)-9-(6-ethyl-5-fluoro-4-pyrimidinyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 163315432
(3'R*,4'R*)-1'-(4-ethyl-5-methyl-2-pyrimidinyl)-1,4'-bipiperidine-3',4-diol
CID 56861738
2-[(1Z)-buta-1,3-dienyl]-1,3,5-trimethyl-6-propan-2-ylidenecyclohexa-1,3-diene;butane;4-butyl-5-methyl-2-piperidin-1-ylpyrimidine;ethane;2-ethyl-4,6-dimethyloxane;methane
CID 153552919

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 72842183) is 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is CCc1nc(N2CCC3(CC2)OCCCC3O)ncc1C.
What is the InChIKey of 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is HHPFSLFXXMHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-13-12(2)11-17-15(18-13)19-8-6-16(7-9-19)14(20)5-4-10-21-16/h11,14,20H,3-10H2,1-2H3.
What are the key properties of 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 291.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 72842183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).