5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine

C10H16FN3O — CID 177019634

IUPAC5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine
SMILESCCC(COC)c1ncc(N)c(N)c1F
InChIInChI=1S/C10H16FN3O/c1-3-6(5-15-2)10-8(11)9(13)7(12)4-14-10/h4,6H,3,5,12H2,1-2H3,(H2,13,14)
InChIKeyXQOFUMDBKAXXND-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.53
Rot. Bonds4

About 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine

5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine (PubChem CID 177019634) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine
PubChem CID177019634
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine
SMILESCCC(COC)c1ncc(N)c(N)c1F
InChIInChI=1S/C10H16FN3O/c1-3-6(5-15-2)10-8(11)9(13)7(12)4-14-10/h4,6H,3,5,12H2,1-2H3,(H2,13,14)
InChIKeyXQOFUMDBKAXXND-UHFFFAOYSA-N
XLogP1.53
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine (CID 177019634) is 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine is CCC(COC)c1ncc(N)c(N)c1F.
What is the InChIKey of 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine?
The InChIKey is XQOFUMDBKAXXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-3-6(5-15-2)10-8(11)9(13)7(12)4-14-10/h4,6H,3,5,12H2,1-2H3,(H2,13,14).
What are the key properties of 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine?
5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine has a molecular weight of 213.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(1-methoxybutan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 177019634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).