9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H22FN5O2 — CID 56911427

IUPAC9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(c3ncc(F)c(N4CCCC4)n3)C2)OC1=O
InChIInChI=1S/C16H22FN5O2/c1-20-10-16(24-15(20)23)5-4-8-22(11-16)14-18-9-12(17)13(19-14)21-6-2-3-7-21/h9H,2-8,10-11H2,1H3
InChIKeyXNIBGNRUDNVDID-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.64
Rot. Bonds2

About 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56911427) has the molecular formula C16H22FN5O2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56911427
Molecular FormulaC16H22FN5O2
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC Name9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCCN(c3ncc(F)c(N4CCCC4)n3)C2)OC1=O
InChIInChI=1S/C16H22FN5O2/c1-20-10-16(24-15(20)23)5-4-8-22(11-16)14-18-9-12(17)13(19-14)21-6-2-3-7-21/h9H,2-8,10-11H2,1H3
InChIKeyXNIBGNRUDNVDID-UHFFFAOYSA-N
XLogP1.64
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-7-[6-(1-piperidinyl)-4-pyrimidinyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56895829
3-{3-[3-(Dimethylamino)pyrrolidin-1-YL]propyl}-8-(2-methylpyrimidin-4-YL)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70711051
3-Methyl-7-[4-(methylamino)-2-pyrimidinyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56906192
tert-butyl (1S,4S)-5-(5-fluoropyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 15729881
Tert-butyl 1'-(5-fluoro-2-methoxypyrimidin-4-yl)-4,4'-bipiperidine-1-carboxylate
CID 59178882
tert-butyl N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66799308
tert-butyl (3aR,6aS)-2-(2-chloro-5-fluoropyrimidin-4-yl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 155454964
tert-butyl (3aR,6aS)-2-(2-chloro-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 155455295
Tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
7-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56908210
tert-Butyl 4-(((5-fluoropyrimidin-2-yl)oxy)methyl)piperidine-1-carboxylate
CID 60137797
tert-Butyl 3-((5-fluoropyrimidin-2-yl)oxy)piperidine-1-carboxylate
CID 60137805

Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56911427) is 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1CC2(CCCN(c3ncc(F)c(N4CCCC4)n3)C2)OC1=O.
What is the InChIKey of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is XNIBGNRUDNVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2/c1-20-10-16(24-15(20)23)5-4-8-22(11-16)14-18-9-12(17)13(19-14)21-6-2-3-7-21/h9H,2-8,10-11H2,1H3.
What are the key properties of 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 335.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56911427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).