8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one

C16H23FN4O — CID 97449706

IUPAC8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C16H23FN4O/c1-12(2)11-21-8-5-16(14(21)22)3-6-20(7-4-16)15-18-9-13(17)10-19-15/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLZHJIRCADUDIFK-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.09
Rot. Bonds3

About 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one

8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449706) has the molecular formula C16H23FN4O and a molecular weight of 306.38 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449706
Molecular FormulaC16H23FN4O
Molecular Weight306.38 g/mol
Exact Mass306.19
IUPAC Name8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)CN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C16H23FN4O/c1-12(2)11-21-8-5-16(14(21)22)3-6-20(7-4-16)15-18-9-13(17)10-19-15/h9-10,12H,3-8,11H2,1-2H3
InChIKeyLZHJIRCADUDIFK-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-fluorobenzoyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449711
2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370175
2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370217
3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 21018613
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
2-(2-methylpropyl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155834844
2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472836
ethyl 4-fluoro-1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 135382866
8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617513
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
8-(5-fluoropyrimidin-2-yl)-1-methyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 131646598

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449706) is 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)CN1CCC2(CCN(c3ncc(F)cn3)CC2)C1=O.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is LZHJIRCADUDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-12(2)11-21-8-5-16(14(21)22)3-6-20(7-4-16)15-18-9-13(17)10-19-15/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 306.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).