[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine

C13H22FN5 — CID 80917723

IUPAC[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCCC1CCCN(c2nc(NN)ncc2F)CC1
InChIInChI=1S/C13H22FN5/c1-2-4-10-5-3-7-19(8-6-10)12-11(14)9-16-13(17-12)18-15/h9-10H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyLUXYNBCYBIZHTA-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.31
Rot. Bonds4

About [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine

[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80917723) has the molecular formula C13H22FN5 and a molecular weight of 267.35 g/mol. Its IUPAC name is [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80917723
Molecular FormulaC13H22FN5
Molecular Weight267.35 g/mol
Exact Mass267.19
IUPAC Name[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCCC1CCCN(c2nc(NN)ncc2F)CC1
InChIInChI=1S/C13H22FN5/c1-2-4-10-5-3-7-19(8-6-10)12-11(14)9-16-13(17-12)18-15/h9-10H,2-8,15H2,1H3,(H,16,17,18)
InChIKeyLUXYNBCYBIZHTA-UHFFFAOYSA-N
XLogP2.31
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.31
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'}

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Related Compounds

[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80910776
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
5-methyl-N-propyl-4-(4-propylazepan-1-yl)pyrimidin-2-amine
CID 80823681
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80896698
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226856
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)piperidine-3-carboxamide
CID 80918438
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80930087
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 134707239
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 114074421
[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80918943

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine (CID 80917723) is [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine is CCCC1CCCN(c2nc(NN)ncc2F)CC1.
What is the InChIKey of [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is LUXYNBCYBIZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5/c1-2-4-10-5-3-7-19(8-6-10)12-11(14)9-16-13(17-12)18-15/h9-10H,2-8,15H2,1H3,(H,16,17,18).
What are the key properties of [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 267.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80917723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).