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

C15H19FN4 — CID 66859546

IUPAC6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine
SMILESCCCNc1nc(NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C15H19FN4/c1-2-9-18-15-13(17)7-8-14(20-15)19-10-11-3-5-12(16)6-4-11/h3-8H,2,9-10,17H2,1H3,(H2,18,19,20)
InChIKeyHTVYWQCXUVICEF-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.24
Rot. Bonds6

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

6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine (PubChem CID 66859546) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine
PubChem CID66859546
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine
SMILESCCCNc1nc(NCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C15H19FN4/c1-2-9-18-15-13(17)7-8-14(20-15)19-10-11-3-5-12(16)6-4-11/h3-8H,2,9-10,17H2,1H3,(H2,18,19,20)
InChIKeyHTVYWQCXUVICEF-UHFFFAOYSA-N
XLogP3.24
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3,6-triamine
CID 58097580
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
5-N-[(4-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938520
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80785034
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
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
4-N-butyl-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112882820
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
N-[2-[[6-[(4-fluorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]ethyl]acetamide
CID 66934455

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine (CID 66859546) is 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine is CCCNc1nc(NCc2ccc(F)cc2)ccc1N.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine?
The InChIKey is HTVYWQCXUVICEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-2-9-18-15-13(17)7-8-14(20-15)19-10-11-3-5-12(16)6-4-11/h3-8H,2,9-10,17H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine?
6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine has a molecular weight of 274.34 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-2-N-propylpyridine-2,3,6-triamine is sourced from PubChem (CID 66859546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).