5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine

C13H15FN4 — CID 103055908

IUPAC5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H15FN4/c1-15-13-8-16-11(7-17-13)9-18(2)12-5-3-10(14)4-6-12/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyWMLIAIMMJZNTQZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.29
Rot. Bonds4

About 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine

5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine (PubChem CID 103055908) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
PubChem CID103055908
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H15FN4/c1-15-13-8-16-11(7-17-13)9-18(2)12-5-3-10(14)4-6-12/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyWMLIAIMMJZNTQZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103055545
N-ethyl-4-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]aniline
CID 103060533
2-methyl-1-[methyl-[[5-(methylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056634
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103056062
2-[(4-fluoro-N-methylanilino)methyl]pyridin-4-amine
CID 79244666
2-fluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylaniline
CID 103060603
4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62436403
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-methylpyrazin-2-amine
CID 103059921
5-[(dibutylamino)methyl]-N-methylpyrazin-2-amine
CID 103055563
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine (CID 103055908) is 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine is CNc1cnc(CN(C)c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine?
The InChIKey is WMLIAIMMJZNTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-15-13-8-16-11(7-17-13)9-18(2)12-5-3-10(14)4-6-12/h3-8H,9H2,1-2H3,(H,15,17).
What are the key properties of 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine?
5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine has a molecular weight of 246.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-N-methylanilino)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103055908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).