[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine

C14H22FN5 — CID 80918943

IUPAC[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(N2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C14H22FN5/c15-11-10-17-13(19-16)18-12(11)20-8-6-14(7-9-20)4-2-1-3-5-14/h10H,1-9,16H2,(H,17,18,19)
InChIKeyIEKFPYINVRNSSK-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.45
Rot. Bonds2

About [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine

[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine (PubChem CID 80918943) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
PubChem CID80918943
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC Name[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
SMILESNNc1ncc(F)c(N2CCC3(CCCCC3)CC2)n1
InChIInChI=1S/C14H22FN5/c15-11-10-17-13(19-16)18-12(11)20-8-6-14(7-9-20)4-2-1-3-5-14/h10H,1-9,16H2,(H,17,18,19)
InChIKeyIEKFPYINVRNSSK-UHFFFAOYSA-N
XLogP2.45
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine 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

[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80910776
[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 107396489
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674672
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226856
[4-(azocan-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 80932155
[4-(2,2-dimethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80906159
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80930087
[4-(azetidin-1-yl)-5-chloropyrimidin-2-yl]hydrazine
CID 130548753
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)piperidine-3-carboxamide
CID 80918438

Frequently Asked Questions

What is the IUPAC name of [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine (CID 80918943) is [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine is NNc1ncc(F)c(N2CCC3(CCCCC3)CC2)n1.
What is the InChIKey of [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine?
The InChIKey is IEKFPYINVRNSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c15-11-10-17-13(19-16)18-12(11)20-8-6-14(7-9-20)4-2-1-3-5-14/h10H,1-9,16H2,(H,17,18,19).
What are the key properties of [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine?
[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine has a molecular weight of 279.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80918943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).