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

C11H18FN5 — CID 80910776

IUPAC[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CCCN(c2nc(NN)ncc2F)CC1
InChIInChI=1S/C11H18FN5/c1-8-3-2-5-17(6-4-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyMPLIBXSIWBGGPW-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.53
Rot. Bonds2

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

[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80910776) has the molecular formula C11H18FN5 and a molecular weight of 239.30 g/mol. Its IUPAC name is [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80910776
Molecular FormulaC11H18FN5
Molecular Weight239.30 g/mol
Exact Mass239.15
IUPAC Name[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CCCN(c2nc(NN)ncc2F)CC1
InChIInChI=1S/C11H18FN5/c1-8-3-2-5-17(6-4-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyMPLIBXSIWBGGPW-UHFFFAOYSA-N
XLogP1.53
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.53
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 [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-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-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)piperidine-3-carboxamide
CID 80918438
[4-(3-azaspiro[5.5]undecan-3-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80918943
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
[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80930087
[6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333721
[5-methyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80899468
[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 107396489
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226856
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine (CID 80910776) is [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine is CC1CCCN(c2nc(NN)ncc2F)CC1.
What is the InChIKey of [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is MPLIBXSIWBGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN5/c1-8-3-2-5-17(6-4-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine?
[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 239.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80910776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).