5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine

C12H11ClFN3 — CID 107373450

IUPAC5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine
SMILESCN(c1cccc(F)c1)c1cnc(CCl)cn1
InChIInChI=1S/C12H11ClFN3/c1-17(11-4-2-3-9(14)5-11)12-8-15-10(6-13)7-16-12/h2-5,7-8H,6H2,1H3
InChIKeyXKJMBWOURBJOJA-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.12
Rot. Bonds3

About 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine

5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine (PubChem CID 107373450) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine
PubChem CID107373450
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine
SMILESCN(c1cccc(F)c1)c1cnc(CCl)cn1
InChIInChI=1S/C12H11ClFN3/c1-17(11-4-2-3-9(14)5-11)12-8-15-10(6-13)7-16-12/h2-5,7-8H,6H2,1H3
InChIKeyXKJMBWOURBJOJA-UHFFFAOYSA-N
XLogP3.12
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379672
5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
CID 114926024
N-(3-fluorophenyl)-N-methyl-6-(methylaminomethyl)pyrazin-2-amine
CID 66449078
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
5-(bromomethyl)-N-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 107082652
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394
(1S)-1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 103938668
N-(3-fluorophenyl)-6-hydrazinyl-N-methylpyrazin-2-amine
CID 80908252
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
N-(3-fluorophenyl)-6-hydrazinyl-N-methylpyridin-2-amine
CID 80908775
4-N-(3-fluorophenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80817609

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine (CID 107373450) is 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine is CN(c1cccc(F)c1)c1cnc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine?
The InChIKey is XKJMBWOURBJOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-17(11-4-2-3-9(14)5-11)12-8-15-10(6-13)7-16-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine?
5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 107373450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).