4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine

C13H14FN3 — CID 113367935

IUPAC4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cc(C)cc(F)c2)ccn1
InChIInChI=1S/C13H14FN3/c1-9-5-10(14)7-12(6-9)17-11-3-4-16-13(8-11)15-2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyBGDRTWWMTLWNKH-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.31
Rot. Bonds3

About 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine

4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine (PubChem CID 113367935) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine
PubChem CID113367935
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cc(C)cc(F)c2)ccn1
InChIInChI=1S/C13H14FN3/c1-9-5-10(14)7-12(6-9)17-11-3-4-16-13(8-11)15-2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyBGDRTWWMTLWNKH-UHFFFAOYSA-N
XLogP3.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367409
2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
CID 107647069
4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
CID 107617821
5-fluoro-2-[[2-(methylamino)-4-pyridinyl]amino]benzonitrile
CID 113368000
N,4-dimethylpyridin-2-amine;hydrochloride
CID 54595444
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
N-(3-fluoro-5-methylphenyl)-1-methylimidazol-2-amine
CID 106576252
4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
N-[2-(methylamino)-4-pyridinyl]acetamide
CID 118178199
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
CID 104830614
4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367654
N-(3,5-dimethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62167632

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine (CID 113367935) is 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine is CNc1cc(Nc2cc(C)cc(F)c2)ccn1.
What is the InChIKey of 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is BGDRTWWMTLWNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9-5-10(14)7-12(6-9)17-11-3-4-16-13(8-11)15-2/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine?
4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine has a molecular weight of 231.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 113367935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).