2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol

C14H21FN4O2 — CID 118743010

IUPAC2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
SMILESOCCN1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C14H21FN4O2/c15-12-8-16-13(17-9-12)19-3-1-2-14(11-19)10-18(4-6-20)5-7-21-14/h8-9,20H,1-7,10-11H2
InChIKeySLQIQOOTBYJXBC-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.28
Rot. Bonds3

About 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol

2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol (PubChem CID 118743010) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol.

Molecular Properties

Compound Name2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
PubChem CID118743010
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
SMILESOCCN1CCOC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C14H21FN4O2/c15-12-8-16-13(17-9-12)19-3-1-2-14(11-19)10-18(4-6-20)5-7-21-14/h8-9,20H,1-7,10-11H2
InChIKeySLQIQOOTBYJXBC-UHFFFAOYSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
The IUPAC name of 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol (CID 118743010) is 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol.
What is the SMILES notation for 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
The canonical SMILES for 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol is OCCN1CCOC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
The InChIKey is SLQIQOOTBYJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c15-12-8-16-13(17-9-12)19-3-1-2-14(11-19)10-18(4-6-20)5-7-21-14/h8-9,20H,1-7,10-11H2.
What are the key properties of 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol has a molecular weight of 296.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol is sourced from PubChem (CID 118743010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).