7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one

C11H12ClFN4O — CID 172608362

IUPAC7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one
SMILESCN1C(=O)CN(c2nc(Cl)ncc2F)CC12CC2
InChIInChI=1S/C11H12ClFN4O/c1-16-8(18)5-17(6-11(16)2-3-11)9-7(13)4-14-10(12)15-9/h4H,2-3,5-6H2,1H3
InChIKeyDBLTXPGOKYLNJL-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.08
Rot. Bonds1

About 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one

7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one (PubChem CID 172608362) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one
PubChem CID172608362
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one
SMILESCN1C(=O)CN(c2nc(Cl)ncc2F)CC12CC2
InChIInChI=1S/C11H12ClFN4O/c1-16-8(18)5-17(6-11(16)2-3-11)9-7(13)4-14-10(12)15-9/h4H,2-3,5-6H2,1H3
InChIKeyDBLTXPGOKYLNJL-UHFFFAOYSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one?
The IUPAC name of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one (CID 172608362) is 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one.
What is the SMILES notation for 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one?
The canonical SMILES for 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one is CN1C(=O)CN(c2nc(Cl)ncc2F)CC12CC2.
What is the InChIKey of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one?
The InChIKey is DBLTXPGOKYLNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c1-16-8(18)5-17(6-11(16)2-3-11)9-7(13)4-14-10(12)15-9/h4H,2-3,5-6H2,1H3.
What are the key properties of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one?
7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one has a molecular weight of 270.69 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-methyl-4,7-diazaspiro[2.5]octan-5-one is sourced from PubChem (CID 172608362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).