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

C16H23FN4O2 — CID 97385578

IUPAC(3S)-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-/m0/s1
InChIKeyYQCAORMHJAPLJK-AWEZNQCLSA-N
MW322.38 g/mol
LogP1.08
Rot. Bonds2

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

(3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97385578) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID97385578
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(3S)-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-/m0/s1
InChIKeyYQCAORMHJAPLJK-AWEZNQCLSA-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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Related Compounds

(3R,3aS,7aR)-1-(5-fluoropyrimidin-2-yl)-3-(oxan-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97366194
(4aR,7aS)-6-(cyclopentylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510737
(4aR,7aS)-6-(cyclohexylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510738
4-[[2-(2-Methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 110118022
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine
CID 110118038
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
9-(Oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118745296
8-(6-Morpholin-4-ylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
CID 155545438
(3-Endo)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50951084

Frequently Asked Questions

What is the IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 97385578) is (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-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 (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is YQCAORMHJAPLJK-AWEZNQCLSA-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-/m0/s1.
What are the key properties of (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane?
(3S)-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 (3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97385578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).