5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine

C17H15FN4 — CID 144679153

IUPAC5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine
SMILESCc1ccc(N)c(-c2ccc(-c3cnc(N)cn3)c(F)c2)c1
InChIInChI=1S/C17H15FN4/c1-10-2-5-15(19)13(6-10)11-3-4-12(14(18)7-11)16-8-22-17(20)9-21-16/h2-9H,19H2,1H3,(H2,20,22)
InChIKeyKXKMKLFWELKOFO-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.42
Rot. Bonds2

About 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine

5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine (PubChem CID 144679153) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine
PubChem CID144679153
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine
SMILESCc1ccc(N)c(-c2ccc(-c3cnc(N)cn3)c(F)c2)c1
InChIInChI=1S/C17H15FN4/c1-10-2-5-15(19)13(6-10)11-3-4-12(14(18)7-11)16-8-22-17(20)9-21-16/h2-9H,19H2,1H3,(H2,20,22)
InChIKeyKXKMKLFWELKOFO-UHFFFAOYSA-N
XLogP3.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine (CID 144679153) is 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine is Cc1ccc(N)c(-c2ccc(-c3cnc(N)cn3)c(F)c2)c1.
What is the InChIKey of 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is KXKMKLFWELKOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-10-2-5-15(19)13(6-10)11-3-4-12(14(18)7-11)16-8-22-17(20)9-21-16/h2-9H,19H2,1H3,(H2,20,22).
What are the key properties of 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine?
5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 294.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 144679153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).