(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

C16H23FN4O2 — CID 97385579

IUPAC(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)C[C@@H](N2CCOCC2)CO3)nc1
InChIInChI=1S/C16H23FN4O2/c17-13-10-18-15(19-11-13)21-3-1-16(2-4-21)9-14(12-23-16)20-5-7-22-8-6-20/h10-11,14H,1-9,12H2/t14-/m1/s1
InChIKeyYQCAORMHJAPLJK-CQSZACIVSA-N
MW322.38 g/mol
LogP1.08
Rot. Bonds2

About (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane

(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97385579) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97385579
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)C[C@@H](N2CCOCC2)CO3)nc1
InChIInChI=1S/C16H23FN4O2/c17-13-10-18-15(19-11-13)21-3-1-16(2-4-21)9-14(12-23-16)20-5-7-22-8-6-20/h10-11,14H,1-9,12H2/t14-/m1/s1
InChIKeyYQCAORMHJAPLJK-CQSZACIVSA-N
XLogP1.08
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 97385579) is (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is Fc1cnc(N2CCC3(CC2)C[C@@H](N2CCOCC2)CO3)nc1.
What is the InChIKey of (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YQCAORMHJAPLJK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23FN4O2/c17-13-10-18-15(19-11-13)21-3-1-16(2-4-21)9-14(12-23-16)20-5-7-22-8-6-20/h10-11,14H,1-9,12H2/t14-/m1/s1.
What are the key properties of (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 322.38 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97385579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).