6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane

C9H11N3O — CID 130685819

IUPAC6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
SMILESc1cnc(N2CC3(CCO3)C2)nc1
InChIInChI=1S/C9H11N3O/c1-3-10-8(11-4-1)12-6-9(7-12)2-5-13-9/h1,3-4H,2,5-7H2
InChIKeyJKVMSNYTQTUHIU-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.46
Rot. Bonds1

About 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane

6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane (PubChem CID 130685819) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
PubChem CID130685819
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
SMILESc1cnc(N2CC3(CCO3)C2)nc1
InChIInChI=1S/C9H11N3O/c1-3-10-8(11-4-1)12-6-9(7-12)2-5-13-9/h1,3-4H,2,5-7H2
InChIKeyJKVMSNYTQTUHIU-UHFFFAOYSA-N
XLogP0.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane
CID 163847477
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077831
4-(pyridin-4-ylmethyl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134072499
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
8-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131643632
(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124805168
(8R)-8-(cyclopropylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124804313
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398278

Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane (CID 130685819) is 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane is c1cnc(N2CC3(CCO3)C2)nc1.
What is the InChIKey of 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane?
The InChIKey is JKVMSNYTQTUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-10-8(11-4-1)12-6-9(7-12)2-5-13-9/h1,3-4H,2,5-7H2.
What are the key properties of 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane?
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane has a molecular weight of 177.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 130685819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).