2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine

C16H19FN4O — CID 86660459

IUPAC2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine
SMILESNc1ccc(NCc2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)11-19-15-6-5-14(18)16(20-15)21-7-9-22-10-8-21/h1-6H,7-11,18H2,(H,19,20)
InChIKeyZCAIGSSJZJHYQZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.25
Rot. Bonds4

About 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine

2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine (PubChem CID 86660459) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine
PubChem CID86660459
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine
SMILESNc1ccc(NCc2ccc(F)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)11-19-15-6-5-14(18)16(20-15)21-7-9-22-10-8-21/h1-6H,7-11,18H2,(H,19,20)
InChIKeyZCAIGSSJZJHYQZ-UHFFFAOYSA-N
XLogP2.25
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine (CID 86660459) is 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine is Nc1ccc(NCc2ccc(F)cc2)nc1N1CCOCC1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine?
The InChIKey is ZCAIGSSJZJHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-13-3-1-12(2-4-13)11-19-15-6-5-14(18)16(20-15)21-7-9-22-10-8-21/h1-6H,7-11,18H2,(H,19,20).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine?
2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine has a molecular weight of 302.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine is sourced from PubChem (CID 86660459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).