6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine

C14H17FN4 — CID 58097580

IUPAC6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
SMILESCN(C)c1nc(NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C14H17FN4/c1-19(2)14-12(16)7-8-13(18-14)17-9-10-3-5-11(15)6-4-10/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyOFDBFPOPTIFQKS-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.48
Rot. Bonds4

About 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine

6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine (PubChem CID 58097580) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
PubChem CID58097580
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
SMILESCN(C)c1nc(NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C14H17FN4/c1-19(2)14-12(16)7-8-13(18-14)17-9-10-3-5-11(15)6-4-10/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyOFDBFPOPTIFQKS-UHFFFAOYSA-N
XLogP2.48
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine with MolForge

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Related Compounds

6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine
CID 66859546
2-(3,4-difluorophenyl)-N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]acetamide
CID 42636408
2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine
CID 86660459
2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
CID 43450871
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
CID 79823347
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrazin-2-amine
CID 80944638
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine (CID 58097580) is 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine is CN(C)c1nc(NCc2ccc(F)cc2)ccc1N.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?
The InChIKey is OFDBFPOPTIFQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-19(2)14-12(16)7-8-13(18-14)17-9-10-3-5-11(15)6-4-10/h3-8H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine?
6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine has a molecular weight of 260.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine is sourced from PubChem (CID 58097580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).