6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine

C19H29FN4O — CID 156722438

IUPAC6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine
SMILESCC(C)(C)c1nc(N)ccc1F.COc1ccc(C(C)(C)C)nc1N
InChIInChI=1S/C10H16N2O.C9H13FN2/c1-10(2,3)8-6-5-7(13-4)9(11)12-8;1-9(2,3)8-6(10)4-5-7(11)12-8/h5-6H,1-4H3,(H2,11,12);4-5H,1-3H3,(H2,11,12)
InChIKeyUXCLXJXEYPRATA-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.07
Rot. Bonds1

About 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine

6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine (PubChem CID 156722438) has the molecular formula C19H29FN4O and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine
PubChem CID156722438
Molecular FormulaC19H29FN4O
Molecular Weight348.47 g/mol
Exact Mass348.23
IUPAC Name6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine
SMILESCC(C)(C)c1nc(N)ccc1F.COc1ccc(C(C)(C)C)nc1N
InChIInChI=1S/C10H16N2O.C9H13FN2/c1-10(2,3)8-6-5-7(13-4)9(11)12-8;1-9(2,3)8-6(10)4-5-7(11)12-8/h5-6H,1-4H3,(H2,11,12);4-5H,1-3H3,(H2,11,12)
InChIKeyUXCLXJXEYPRATA-UHFFFAOYSA-N
XLogP4.07
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine?
The IUPAC name of 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine (CID 156722438) is 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine.
What is the SMILES notation for 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine?
The canonical SMILES for 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine is CC(C)(C)c1nc(N)ccc1F.COc1ccc(C(C)(C)C)nc1N.
What is the InChIKey of 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine?
The InChIKey is UXCLXJXEYPRATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C9H13FN2/c1-10(2,3)8-6-5-7(13-4)9(11)12-8;1-9(2,3)8-6(10)4-5-7(11)12-8/h5-6H,1-4H3,(H2,11,12);4-5H,1-3H3,(H2,11,12).
What are the key properties of 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine?
6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine has a molecular weight of 348.47 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-fluoropyridin-2-amine;6-tert-butyl-3-methoxypyridin-2-amine is sourced from PubChem (CID 156722438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).