3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine

C11H11FN4 — CID 102985191

IUPAC3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
SMILESCc1ccc(F)cc1Nc1nccnc1N
InChIInChI=1S/C11H11FN4/c1-7-2-3-8(12)6-9(7)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyFVCBONDHAKGSKW-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.25
Rot. Bonds2

About 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine

3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine (PubChem CID 102985191) has the molecular formula C11H11FN4 and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
PubChem CID102985191
Molecular FormulaC11H11FN4
Molecular Weight218.23 g/mol
Exact Mass218.10
IUPAC Name3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
SMILESCc1ccc(F)cc1Nc1nccnc1N
InChIInChI=1S/C11H11FN4/c1-7-2-3-8(12)6-9(7)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyFVCBONDHAKGSKW-UHFFFAOYSA-N
XLogP2.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(5-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 82816959
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
5-fluoro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762276
4-N-(5-fluoro-2-methylphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235483
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
6-chloro-2-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762277
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
6-N-(5-fluoro-2-methylphenyl)quinoline-5,6-diamine
CID 43809628
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
3-N-(2,5-difluorophenyl)-4-methylbenzene-1,3-diamine
CID 55091161
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine (CID 102985191) is 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine is Cc1ccc(F)cc1Nc1nccnc1N.
What is the InChIKey of 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine?
The InChIKey is FVCBONDHAKGSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c1-7-2-3-8(12)6-9(7)16-11-10(13)14-4-5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine?
3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine has a molecular weight of 218.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102985191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).