3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane

C18H21N3O — CID 134071270

IUPAC3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(C2COC3(CCCN(c4ncccn4)C3)C2)cc1
InChIInChI=1S/C18H21N3O/c1-2-6-15(7-3-1)16-12-18(22-13-16)8-4-11-21(14-18)17-19-9-5-10-20-17/h1-3,5-7,9-10,16H,4,8,11-14H2
InChIKeyVVCDXECGZJAAQM-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.02
Rot. Bonds2

About 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane

3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane (PubChem CID 134071270) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
PubChem CID134071270
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(C2COC3(CCCN(c4ncccn4)C3)C2)cc1
InChIInChI=1S/C18H21N3O/c1-2-6-15(7-3-1)16-12-18(22-13-16)8-4-11-21(14-18)17-19-9-5-10-20-17/h1-3,5-7,9-10,16H,4,8,11-14H2
InChIKeyVVCDXECGZJAAQM-UHFFFAOYSA-N
XLogP3.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 97489632
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371832
N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131659823
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155844223
8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077831
(1-methylpyrrol-2-yl)-[(3R,5S)-3-phenyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395253
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
(3R)-3-phenyl-1-oxa-8-azaspiro[4.5]decane
CID 124703511
8-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131643632
(3R,5R)-7-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-1-oxa-7-azaspiro[4.4]nonane
CID 124520492
(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371319

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane (CID 134071270) is 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane is c1ccc(C2COC3(CCCN(c4ncccn4)C3)C2)cc1.
What is the InChIKey of 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is VVCDXECGZJAAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-6-15(7-3-1)16-12-18(22-13-16)8-4-11-21(14-18)17-19-9-5-10-20-17/h1-3,5-7,9-10,16H,4,8,11-14H2.
What are the key properties of 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane?
3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 295.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 134071270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).