6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine

C19H21FN4 — CID 90781027

IUPAC6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine
SMILESCN1CC(N)=NC=C1c1cccc(CNCc2ccccc2F)c1
InChIInChI=1S/C19H21FN4/c1-24-13-19(21)23-12-18(24)15-7-4-5-14(9-15)10-22-11-16-6-2-3-8-17(16)20/h2-9,12,22H,10-11,13H2,1H3,(H2,21,23)
InChIKeyNDNWJEDBOSDBSF-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.72
Rot. Bonds5

About 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine

6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine (PubChem CID 90781027) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine.

Molecular Properties

Compound Name6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine
PubChem CID90781027
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine
SMILESCN1CC(N)=NC=C1c1cccc(CNCc2ccccc2F)c1
InChIInChI=1S/C19H21FN4/c1-24-13-19(21)23-12-18(24)15-7-4-5-14(9-15)10-22-11-16-6-2-3-8-17(16)20/h2-9,12,22H,10-11,13H2,1H3,(H2,21,23)
InChIKeyNDNWJEDBOSDBSF-UHFFFAOYSA-N
XLogP2.72
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine?
The IUPAC name of 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine (CID 90781027) is 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine.
What is the SMILES notation for 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine?
The canonical SMILES for 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine is CN1CC(N)=NC=C1c1cccc(CNCc2ccccc2F)c1.
What is the InChIKey of 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine?
The InChIKey is NDNWJEDBOSDBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-24-13-19(21)23-12-18(24)15-7-4-5-14(9-15)10-22-11-16-6-2-3-8-17(16)20/h2-9,12,22H,10-11,13H2,1H3,(H2,21,23).
What are the key properties of 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine?
6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine has a molecular weight of 324.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(2-fluorophenyl)methylamino]methyl]phenyl]-1-methyl-2H-pyrazin-3-amine is sourced from PubChem (CID 90781027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).