2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine

C10H16N2OS — CID 115321354

IUPAC2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine
SMILESCCC(C)Sc1nc(OC)ccc1N
InChIInChI=1S/C10H16N2OS/c1-4-7(2)14-10-8(11)5-6-9(12-10)13-3/h5-7H,4,11H2,1-3H3
InChIKeyBBCRAXVEEXDLJV-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.56
Rot. Bonds4

About 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine

2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine (PubChem CID 115321354) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine
PubChem CID115321354
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine
SMILESCCC(C)Sc1nc(OC)ccc1N
InChIInChI=1S/C10H16N2OS/c1-4-7(2)14-10-8(11)5-6-9(12-10)13-3/h5-7H,4,11H2,1-3H3
InChIKeyBBCRAXVEEXDLJV-UHFFFAOYSA-N
XLogP2.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine?
The IUPAC name of 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine (CID 115321354) is 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine?
The canonical SMILES for 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine is CCC(C)Sc1nc(OC)ccc1N.
What is the InChIKey of 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine?
The InChIKey is BBCRAXVEEXDLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-7(2)14-10-8(11)5-6-9(12-10)13-3/h5-7H,4,11H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine?
2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine has a molecular weight of 212.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-6-methoxypyridin-3-amine is sourced from PubChem (CID 115321354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).