3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine

C15H17FN4 — CID 134187432

IUPAC3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine
SMILESC=C(N)c1cc(F)c(N)nc1N(C)c1cccc(C)c1
InChIInChI=1S/C15H17FN4/c1-9-5-4-6-11(7-9)20(3)15-12(10(2)17)8-13(16)14(18)19-15/h4-8H,2,17H2,1,3H3,(H2,18,19)
InChIKeyOAZVIGJTCWMCQZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.81
Rot. Bonds3

About 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine

3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine (PubChem CID 134187432) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine
PubChem CID134187432
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine
SMILESC=C(N)c1cc(F)c(N)nc1N(C)c1cccc(C)c1
InChIInChI=1S/C15H17FN4/c1-9-5-4-6-11(7-9)20(3)15-12(10(2)17)8-13(16)14(18)19-15/h4-8H,2,17H2,1,3H3,(H2,18,19)
InChIKeyOAZVIGJTCWMCQZ-UHFFFAOYSA-N
XLogP2.81
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893
3-(N,3-dimethylanilino)pyridazine-4-carbothioamide
CID 80511212
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80982951
3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine
CID 134187928
3-chloro-2-(N,3-dimethylanilino)-N'-hydroxypyridine-4-carboximidamide
CID 136739430
5-fluoro-4-N-methyl-4-N-(3-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80818504
4-(bromomethyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 107082587
2-N-methyl-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 150772863
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
5-chloro-6-fluoro-1-N-methyl-1-N-(3-methylphenyl)benzene-1,2,4-triamine
CID 103552989
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine?
The IUPAC name of 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine (CID 134187432) is 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine is C=C(N)c1cc(F)c(N)nc1N(C)c1cccc(C)c1.
What is the InChIKey of 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine?
The InChIKey is OAZVIGJTCWMCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-9-5-4-6-11(7-9)20(3)15-12(10(2)17)8-13(16)14(18)19-15/h4-8H,2,17H2,1,3H3,(H2,18,19).
What are the key properties of 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine?
3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine has a molecular weight of 272.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenyl)-5-fluoro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 134187432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).