[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine

C12H12FN3 — CID 83849216

IUPAC[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine
SMILESCc1cc(-c2cncc(CN)n2)ccc1F
InChIInChI=1S/C12H12FN3/c1-8-4-9(2-3-11(8)13)12-7-15-6-10(5-14)16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyMDBZDBYEIIATGM-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.05
Rot. Bonds2

About [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine

[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine (PubChem CID 83849216) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine
PubChem CID83849216
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine
SMILESCc1cc(-c2cncc(CN)n2)ccc1F
InChIInChI=1S/C12H12FN3/c1-8-4-9(2-3-11(8)13)12-7-15-6-10(5-14)16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyMDBZDBYEIIATGM-UHFFFAOYSA-N
XLogP2.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
N'-[6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82479380
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895335
cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
CID 142832215
2-[2-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]ethanamine
CID 62745029
4-(4-fluoro-3-methylphenyl)imidazole-1,2-diamine
CID 82283259
2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 155386797
4-(4-fluoro-3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563210
2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
CID 82299783
5-bromo-2-(4-fluoro-3-methylphenyl)pyridine
CID 83920260
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine (CID 83849216) is [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine is Cc1cc(-c2cncc(CN)n2)ccc1F.
What is the InChIKey of [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine?
The InChIKey is MDBZDBYEIIATGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-8-4-9(2-3-11(8)13)12-7-15-6-10(5-14)16-12/h2-4,6-7H,5,14H2,1H3.
What are the key properties of [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine?
[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine has a molecular weight of 217.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 83849216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).