(2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C13H16N2O3 — CID 171943898

IUPAC(2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3CCC(C2)O3)cn1
InChIInChI=1S/C13H16N2O3/c1-17-13-14-6-9(7-15-13)12(16)8-4-10-2-3-11(5-8)18-10/h6-8,10-11H,2-5H2,1H3
InChIKeyBYYOELREXDOQNK-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.63
Rot. Bonds3

About (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171943898) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171943898
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1ncc(C(=O)C2CC3CCC(C2)O3)cn1
InChIInChI=1S/C13H16N2O3/c1-17-13-14-6-9(7-15-13)12(16)8-4-10-2-3-11(5-8)18-10/h6-8,10-11H,2-5H2,1H3
InChIKeyBYYOELREXDOQNK-UHFFFAOYSA-N
XLogP1.63
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171943898) is (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is COc1ncc(C(=O)C2CC3CCC(C2)O3)cn1.
What is the InChIKey of (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is BYYOELREXDOQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-13-14-6-9(7-15-13)12(16)8-4-10-2-3-11(5-8)18-10/h6-8,10-11H,2-5H2,1H3.
What are the key properties of (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 248.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171943898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).