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

C14H18N2O3 — CID 171946814

IUPAC(2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCOc1ncc(C(=O)C2CC3CCC(C2)O3)cn1
InChIInChI=1S/C14H18N2O3/c1-2-18-14-15-7-10(8-16-14)13(17)9-5-11-3-4-12(6-9)19-11/h7-9,11-12H,2-6H2,1H3
InChIKeyJMLGKGMCYBVCPS-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.02
Rot. Bonds4

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

(2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171946814) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171946814
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCCOc1ncc(C(=O)C2CC3CCC(C2)O3)cn1
InChIInChI=1S/C14H18N2O3/c1-2-18-14-15-7-10(8-16-14)13(17)9-5-11-3-4-12(6-9)19-11/h7-9,11-12H,2-6H2,1H3
InChIKeyJMLGKGMCYBVCPS-UHFFFAOYSA-N
XLogP2.02
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171946814) is (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is CCOc1ncc(C(=O)C2CC3CCC(C2)O3)cn1.
What is the InChIKey of (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is JMLGKGMCYBVCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-18-14-15-7-10(8-16-14)13(17)9-5-11-3-4-12(6-9)19-11/h7-9,11-12H,2-6H2,1H3.
What are the key properties of (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171946814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).