6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane

C9H11N3O — CID 175849262

IUPAC6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILES[2H]c1cnc(N2CC3(COC3)C2)nc1
InChIInChI=1S/C9H11N3O/c1-2-10-8(11-3-1)12-4-9(5-12)6-13-7-9/h1-3H,4-7H2/i1D
InChIKeyCOHPRMJTYJWSNQ-MICDWDOJSA-N
MW178.21 g/mol
LogP0.31
Rot. Bonds1

About 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane

6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 175849262) has the molecular formula C9H11N3O and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID175849262
Molecular FormulaC9H11N3O
Molecular Weight178.21 g/mol
Exact Mass178.10
IUPAC Name6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILES[2H]c1cnc(N2CC3(COC3)C2)nc1
InChIInChI=1S/C9H11N3O/c1-2-10-8(11-3-1)12-4-9(5-12)6-13-7-9/h1-3H,4-7H2/i1D
InChIKeyCOHPRMJTYJWSNQ-MICDWDOJSA-N
XLogP0.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane (CID 175849262) is 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane is [2H]c1cnc(N2CC3(COC3)C2)nc1.
What is the InChIKey of 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is COHPRMJTYJWSNQ-MICDWDOJSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-10-8(11-3-1)12-4-9(5-12)6-13-7-9/h1-3H,4-7H2/i1D.
What are the key properties of 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane?
6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 178.21 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-deuteriopyrimidin-2-yl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 175849262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).