3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane

C15H21N3O2 — CID 154628081

IUPAC3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc(C2CCOCC2)nc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C15H21N3O2/c1-2-13-10-18(9-12(1)20-13)15-16-6-3-14(17-15)11-4-7-19-8-5-11/h3,6,11-13H,1-2,4-5,7-10H2
InChIKeyBORCMSJCGRNASC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.74
Rot. Bonds2

About 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 154628081) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID154628081
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc(C2CCOCC2)nc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C15H21N3O2/c1-2-13-10-18(9-12(1)20-13)15-16-6-3-14(17-15)11-4-7-19-8-5-11/h3,6,11-13H,1-2,4-5,7-10H2
InChIKeyBORCMSJCGRNASC-UHFFFAOYSA-N
XLogP1.74
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-cyclopentylpyrimidin-2-yl)-1-oxa-7-azaspiro[3.5]nonane
CID 56863787
2-[4-(oxan-4-yl)pyrimidin-2-yl]ethanol
CID 116899632
[(3R,4R)-1-(4-cyclopentylpyrimidin-2-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 70768702
4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
CID 75485556
2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
CID 115041987
[1-[4-(oxan-4-yl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902577
[1-[4-(oxolan-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279197
3-methyl-2-[4-(oxan-4-yl)pyrimidin-2-yl]butanenitrile
CID 116903397
3-[4-(oxan-4-yl)pyrimidin-2-yl]oxetane-3-carbonitrile
CID 116902879
3-(4-methyl-2-pyridinyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 164926889
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 70733172

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 154628081) is 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane is c1cc(C2CCOCC2)nc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is BORCMSJCGRNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-13-10-18(9-12(1)20-13)15-16-6-3-14(17-15)11-4-7-19-8-5-11/h3,6,11-13H,1-2,4-5,7-10H2.
What are the key properties of 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 275.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-4-yl)pyrimidin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 154628081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).