(1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane

C11H15N3O — CID 67528751

IUPAC(1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane
SMILESc1cnc(OC2C[C@H]3CC[C@@H](C2)N3)nc1
InChIInChI=1S/C11H15N3O/c1-4-12-11(13-5-1)15-10-6-8-2-3-9(7-10)14-8/h1,4-5,8-10,14H,2-3,6-7H2/t8-,9+,10?
InChIKeySOTJZYBCLAHUFS-ULKQDVFKSA-N
MW205.26 g/mol
LogP1.14
Rot. Bonds2

About (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane

(1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 67528751) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID67528751
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane
SMILESc1cnc(OC2C[C@H]3CC[C@@H](C2)N3)nc1
InChIInChI=1S/C11H15N3O/c1-4-12-11(13-5-1)15-10-6-8-2-3-9(7-10)14-8/h1,4-5,8-10,14H,2-3,6-7H2/t8-,9+,10?
InChIKeySOTJZYBCLAHUFS-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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Related Compounds

3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 66754415
2-piperidin-4-yloxypyrimidine
CID 3836732
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
CID 77226760
3-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxy-8-azabicyclo[3.2.1]octane
CID 67411641
(1S,5R)-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxy-8-azabicyclo[3.2.1]octane
CID 67411639
(1S,5R)-3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 100665905
3-pyrimidin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
CID 91812489
(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
CID 73053571
3-(5,6-dimethylpyrazin-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 114199728
(1S,5S)-3-pyrimidin-2-ylsulfanyl-8-azabicyclo[3.2.1]octane
CID 98116368
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882259

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane (CID 67528751) is (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane is c1cnc(OC2C[C@H]3CC[C@@H](C2)N3)nc1.
What is the InChIKey of (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is SOTJZYBCLAHUFS-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-12-11(13-5-1)15-10-6-8-2-3-9(7-10)14-8/h1,4-5,8-10,14H,2-3,6-7H2/t8-,9+,10?.
What are the key properties of (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-pyrimidin-2-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 (1R,5S)-3-pyrimidin-2-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67528751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).