3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine

C18H16F2N4 — CID 143309762

IUPAC3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine
SMILESCN(Cc1ccc(-c2nccnc2N)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4/c1-24(16-7-6-14(19)10-15(16)20)11-12-2-4-13(5-3-12)17-18(21)23-9-8-22-17/h2-10H,11H2,1H3,(H2,21,23)
InChIKeyBJOUVKCKOVIKAH-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.64
Rot. Bonds4

About 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine

3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine (PubChem CID 143309762) has the molecular formula C18H16F2N4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine
PubChem CID143309762
Molecular FormulaC18H16F2N4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine
SMILESCN(Cc1ccc(-c2nccnc2N)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4/c1-24(16-7-6-14(19)10-15(16)20)11-12-2-4-13(5-3-12)17-18(21)23-9-8-22-17/h2-10H,11H2,1H3,(H2,21,23)
InChIKeyBJOUVKCKOVIKAH-UHFFFAOYSA-N
XLogP3.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
1-N-[(4-chlorophenyl)methyl]-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 61414834
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
CID 115213176
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 61414753
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390
2-[(4-aminophenyl)methyl-methylamino]-5-fluorobenzonitrile
CID 63673135
2-(chloromethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63540837
4-ethoxy-5-fluoro-2-N-[(4-fluorophenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 63592864

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine?
The IUPAC name of 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine (CID 143309762) is 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine is CN(Cc1ccc(-c2nccnc2N)cc1)c1ccc(F)cc1F.
What is the InChIKey of 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine?
The InChIKey is BJOUVKCKOVIKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4/c1-24(16-7-6-14(19)10-15(16)20)11-12-2-4-13(5-3-12)17-18(21)23-9-8-22-17/h2-10H,11H2,1H3,(H2,21,23).
What are the key properties of 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine?
3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine has a molecular weight of 326.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,4-difluoro-N-methylanilino)methyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 143309762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).