5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine

C15H18FN3 — CID 104535355

IUPAC5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCc2cc(C)c(F)c(C)c2)c1
InChIInChI=1S/C15H18FN3/c1-10-4-12(5-11(2)15(10)16)7-19-14-6-13(17-3)8-18-9-14/h4-6,8-9,17,19H,7H2,1-3H3
InChIKeyCUVPCINGAWHVEL-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.49
Rot. Bonds4

About 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine

5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine (PubChem CID 104535355) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine
PubChem CID104535355
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(NCc2cc(C)c(F)c(C)c2)c1
InChIInChI=1S/C15H18FN3/c1-10-4-12(5-11(2)15(10)16)7-19-14-6-13(17-3)8-18-9-14/h4-6,8-9,17,19H,7H2,1-3H3
InChIKeyCUVPCINGAWHVEL-UHFFFAOYSA-N
XLogP3.49
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyridin-3-amine
CID 103824113
3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
CID 104534362
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
3-N-methyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534595
3-N-methyl-5-N-(1,2-oxazol-5-ylmethyl)pyridine-3,5-diamine
CID 106424548
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80852205
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535597
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine
CID 114222552
3-N-methyl-5-N-(3-phenylpropyl)pyridine-3,5-diamine
CID 113423751
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine (CID 104535355) is 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine is CNc1cncc(NCc2cc(C)c(F)c(C)c2)c1.
What is the InChIKey of 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine?
The InChIKey is CUVPCINGAWHVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-4-12(5-11(2)15(10)16)7-19-14-6-13(17-3)8-18-9-14/h4-6,8-9,17,19H,7H2,1-3H3.
What are the key properties of 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine?
5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine has a molecular weight of 259.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104535355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).