1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine

C11H15FN6 — CID 123628024

IUPAC1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine
SMILESNC(=N/C(N)=N/C1CCC1)Nc1ccc(F)nc1
InChIInChI=1S/C11H15FN6/c12-9-5-4-8(6-15-9)17-11(14)18-10(13)16-7-2-1-3-7/h4-7H,1-3H2,(H5,13,14,16,17,18)
InChIKeyJMFJIZFSVRFCME-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.81
Rot. Bonds2

About 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine

1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine (PubChem CID 123628024) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine.

Molecular Properties

Compound Name1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine
PubChem CID123628024
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine
SMILESNC(=N/C(N)=N/C1CCC1)Nc1ccc(F)nc1
InChIInChI=1S/C11H15FN6/c12-9-5-4-8(6-15-9)17-11(14)18-10(13)16-7-2-1-3-7/h4-7H,1-3H2,(H5,13,14,16,17,18)
InChIKeyJMFJIZFSVRFCME-UHFFFAOYSA-N
XLogP0.81
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[amino-(2,3,4,5,6-pentafluoroanilino)methylidene]-2-cyclopropylguanidine
CID 21492896
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
(1Z)-1-[amino-(4-fluoroanilino)methylidene]-2-(cyclopropylmethyl)guanidine
CID 21492995
1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine
CID 119146747
2-cyclohexyl-1-phenylguanidine
CID 10900077
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
(1S,6R)-6-[(6-fluoro-3-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114052653
2-cyclobutyl-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 119146746
1-[amino-(2,4,6-trichloroanilino)methylidene]-2-cyclopropylguanidine
CID 54274039
(6-fluoro-3-pyridinyl)hydrazine;dihydrochloride
CID 139026675
N-(2,3-dimethylcyclohexyl)-6-fluoropyridin-3-amine
CID 104586722

Frequently Asked Questions

What is the IUPAC name of 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine?
The IUPAC name of 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine (CID 123628024) is 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine.
What is the SMILES notation for 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine?
The canonical SMILES for 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine is NC(=N/C(N)=N/C1CCC1)Nc1ccc(F)nc1.
What is the InChIKey of 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine?
The InChIKey is JMFJIZFSVRFCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c12-9-5-4-8(6-15-9)17-11(14)18-10(13)16-7-2-1-3-7/h4-7H,1-3H2,(H5,13,14,16,17,18).
What are the key properties of 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine?
1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine has a molecular weight of 250.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[(6-fluoro-3-pyridinyl)amino]methylidene]-2-cyclobutylguanidine is sourced from PubChem (CID 123628024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).