2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane

C13H23FN4 — CID 145338897

IUPAC2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane
SMILESCC(C)C.[H]/N=C(\CN(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C9H13FN4.C4H10/c1-13(2)6-9(12)14-5-7(10)3-4-8(14)11;1-4(2)3/h3-5,11-12H,6H2,1-2H3;4H,1-3H3/b11-8+,12-9+;
InChIKeyGIUKBCWHYVEPEG-OKNPDPIESA-N
MW254.35 g/mol
LogP2.16
Rot. Bonds2

About 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane

2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane (PubChem CID 145338897) has the molecular formula C13H23FN4 and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane.

Molecular Properties

Compound Name2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane
PubChem CID145338897
Molecular FormulaC13H23FN4
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane
SMILESCC(C)C.[H]/N=C(\CN(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C9H13FN4.C4H10/c1-13(2)6-9(12)14-5-7(10)3-4-8(14)11;1-4(2)3/h3-5,11-12H,6H2,1-2H3;4H,1-3H3/b11-8+,12-9+;
InChIKeyGIUKBCWHYVEPEG-OKNPDPIESA-N
XLogP2.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane?
The IUPAC name of 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane (CID 145338897) is 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane.
What is the SMILES notation for 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane?
The canonical SMILES for 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane is CC(C)C.[H]/N=C(\CN(C)C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane?
The InChIKey is GIUKBCWHYVEPEG-OKNPDPIESA-N. The full InChI is InChI=1S/C9H13FN4.C4H10/c1-13(2)6-9(12)14-5-7(10)3-4-8(14)11;1-4(2)3/h3-5,11-12H,6H2,1-2H3;4H,1-3H3/b11-8+,12-9+;.
What are the key properties of 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane?
2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane has a molecular weight of 254.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine;2-methylpropane is sourced from PubChem (CID 145338897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).