6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane

C10H12FN3O2 — CID 176626525

IUPAC6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1ncnc(N2CC3(COC3)C2)c1F
InChIInChI=1S/C10H12FN3O2/c1-15-9-7(11)8(12-6-13-9)14-2-10(3-14)4-16-5-10/h6H,2-5H2,1H3
InChIKeyDMEKCDCNDHBWAP-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.46
Rot. Bonds2

About 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane

6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 176626525) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID176626525
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESCOc1ncnc(N2CC3(COC3)C2)c1F
InChIInChI=1S/C10H12FN3O2/c1-15-9-7(11)8(12-6-13-9)14-2-10(3-14)4-16-5-10/h6H,2-5H2,1H3
InChIKeyDMEKCDCNDHBWAP-UHFFFAOYSA-N
XLogP0.46
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane (CID 176626525) is 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane is COc1ncnc(N2CC3(COC3)C2)c1F.
What is the InChIKey of 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is DMEKCDCNDHBWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-15-9-7(11)8(12-6-13-9)14-2-10(3-14)4-16-5-10/h6H,2-5H2,1H3.
What are the key properties of 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane?
6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 225.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-6-methoxypyrimidin-4-yl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 176626525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).