3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide

C13H14FN5 — CID 62684888

IUPAC3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H14FN5/c1-19(8-9-2-4-10(14)5-3-9)13-11(12(15)16)17-6-7-18-13/h2-7H,8H2,1H3,(H3,15,16)
InChIKeyKRJQHIDIYIAXJS-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.54
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide

3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide (PubChem CID 62684888) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
PubChem CID62684888
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H14FN5/c1-19(8-9-2-4-10(14)5-3-9)13-11(12(15)16)17-6-7-18-13/h2-7H,8H2,1H3,(H3,15,16)
InChIKeyKRJQHIDIYIAXJS-UHFFFAOYSA-N
XLogP1.54
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.54
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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Related Compounds

3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684033
3-[methyl(pyridin-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684211
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyrazine-2-carboximidamide
CID 55104411
3-[butyl(methyl)amino]pyrazine-2-carboximidamide
CID 62684705
3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
CID 112660138
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
3-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboximidamide
CID 62685407
3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 171702410
4-[(4-fluorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 81036488
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
3-(chloromethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61413458

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide (CID 62684888) is 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide?
The InChIKey is KRJQHIDIYIAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-19(8-9-2-4-10(14)5-3-9)13-11(12(15)16)17-6-7-18-13/h2-7H,8H2,1H3,(H3,15,16).
What are the key properties of 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide?
3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide has a molecular weight of 259.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl-methylamino]pyrazine-2-carboximidamide is sourced from PubChem (CID 62684888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).