7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C15H20FN5O2 — CID 56908210

IUPAC7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(c3ncc(F)c(N4CCCC4)n3)C2)OC1=O
InChIInChI=1S/C15H20FN5O2/c1-19-9-15(23-14(19)22)4-7-21(10-15)13-17-8-11(16)12(18-13)20-5-2-3-6-20/h8H,2-7,9-10H2,1H3
InChIKeyAIDGTBLDQLUTNE-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.25
Rot. Bonds2

About 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 56908210) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID56908210
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1CC2(CCN(c3ncc(F)c(N4CCCC4)n3)C2)OC1=O
InChIInChI=1S/C15H20FN5O2/c1-19-9-15(23-14(19)22)4-7-21(10-15)13-17-8-11(16)12(18-13)20-5-2-3-6-20/h8H,2-7,9-10H2,1H3
InChIKeyAIDGTBLDQLUTNE-UHFFFAOYSA-N
XLogP1.25
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-3-(5-Fluoro-pyrimidin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 66519798
3-(2-Chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 89478990
3-(2-Chloro-5-fluoropyrimidin-4-yl)-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
CID 89489701
6-(2-Chloro-5-fluoropyrimidin-4-yl)-4-oxa-6-azaspiro[2.4]heptan-5-one
CID 90347554
Tert-butyl 3-fluoro-3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 147567657
Tert-butyl 3-(5-fluoropyrimidin-2-yl)-3-hydroxypyrrolidine-1-carboxylate
CID 153177889
(3S)-3-(4-amino-5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylic acid
CID 154182429
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 3-(5-fluoropyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 158441529
7-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56911427
(S)-3-(5-Fluoro-pyrimidin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 60137919

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 56908210) is 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1CC2(CCN(c3ncc(F)c(N4CCCC4)n3)C2)OC1=O.
What is the InChIKey of 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is AIDGTBLDQLUTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-19-9-15(23-14(19)22)4-7-21(10-15)13-17-8-11(16)12(18-13)20-5-2-3-6-20/h8H,2-7,9-10H2,1H3.
What are the key properties of 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 321.36 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 56908210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).