8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane

C12H18FN4+ — CID 12044789

IUPAC8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane
SMILESFc1cnc(N2CC[N+]3(CCCC3)CC2)nc1
InChIInChI=1S/C12H18FN4/c13-11-9-14-12(15-10-11)16-3-7-17(8-4-16)5-1-2-6-17/h9-10H,1-8H2/q+1
InChIKeyGTYPNJSDALPKIM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.05
Rot. Bonds1

About 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane

8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane (PubChem CID 12044789) has the molecular formula C12H18FN4+ and a molecular weight of 237.30 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane
PubChem CID12044789
Molecular FormulaC12H18FN4+
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane
SMILESFc1cnc(N2CC[N+]3(CCCC3)CC2)nc1
InChIInChI=1S/C12H18FN4/c13-11-9-14-12(15-10-11)16-3-7-17(8-4-16)5-1-2-6-17/h9-10H,1-8H2/q+1
InChIKeyGTYPNJSDALPKIM-UHFFFAOYSA-N
XLogP1.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
5-Bromo-4-piperidin-1-yl-2-pyrrolidin-1-ylpyrimidine
CID 5309652
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
CID 657506
2-(4-Methylpiperazin-1-yl)pyrimidine
CID 10329895
2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
CID 51138331

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane (CID 12044789) is 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane is Fc1cnc(N2CC[N+]3(CCCC3)CC2)nc1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane?
The InChIKey is GTYPNJSDALPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN4/c13-11-9-14-12(15-10-11)16-3-7-17(8-4-16)5-1-2-6-17/h9-10H,1-8H2/q+1.
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane?
8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane has a molecular weight of 237.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 12044789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).