2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C16H20FN3O — CID 43261620

IUPAC2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCc1ccc(F)cc1Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H20FN3O/c1-10-5-6-11(17)9-13(10)19-14-8-7-12(18)15(20-14)21-16(2,3)4/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyRLKGVNDREGPGSY-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.03
Rot. Bonds3

About 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 43261620) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID43261620
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCc1ccc(F)cc1Nc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C16H20FN3O/c1-10-5-6-11(17)9-13(10)19-14-8-7-12(18)15(20-14)21-16(2,3)4/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyRLKGVNDREGPGSY-UHFFFAOYSA-N
XLogP4.03
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 43261620) is 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is Cc1ccc(F)cc1Nc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is RLKGVNDREGPGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-5-6-11(17)9-13(10)19-14-8-7-12(18)15(20-14)21-16(2,3)4/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 289.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-fluoro-2-methylphenyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 43261620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).