(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane

C11H15N3O — CID 100665905

IUPAC(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESc1cc(OC2C[C@H]3CC[C@@H](C2)N3)ncn1
InChIInChI=1S/C11H15N3O/c1-2-9-6-10(5-8(1)14-9)15-11-3-4-12-7-13-11/h3-4,7-10,14H,1-2,5-6H2/t8-,9+,10?
InChIKeyRCIBHRKRKUESEN-ULKQDVFKSA-N
MW205.26 g/mol
LogP1.14
Rot. Bonds2

About (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane

(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 100665905) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID100665905
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane
SMILESc1cc(OC2C[C@H]3CC[C@@H](C2)N3)ncn1
InChIInChI=1S/C11H15N3O/c1-2-9-6-10(5-8(1)14-9)15-11-3-4-12-7-13-11/h3-4,7-10,14H,1-2,5-6H2/t8-,9+,10?
InChIKeyRCIBHRKRKUESEN-ULKQDVFKSA-N
XLogP1.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane (CID 100665905) is (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane is c1cc(OC2C[C@H]3CC[C@@H](C2)N3)ncn1.
What is the InChIKey of (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is RCIBHRKRKUESEN-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-9-6-10(5-8(1)14-9)15-11-3-4-12-7-13-11/h3-4,7-10,14H,1-2,5-6H2/t8-,9+,10?.
What are the key properties of (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 205.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 100665905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).