4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine

C11H11N3S — CID 14964561

IUPAC4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine
SMILESCSc1cc(N)nc(-c2ccncc2)c1
InChIInChI=1S/C11H11N3S/c1-15-9-6-10(14-11(12)7-9)8-2-4-13-5-3-8/h2-7H,1H3,(H2,12,14)
InChIKeyHORDYEFBXDPAJA-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.45
Rot. Bonds2

About 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine

4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine (PubChem CID 14964561) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine
PubChem CID14964561
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine
SMILESCSc1cc(N)nc(-c2ccncc2)c1
InChIInChI=1S/C11H11N3S/c1-15-9-6-10(14-11(12)7-9)8-2-4-13-5-3-8/h2-7H,1H3,(H2,12,14)
InChIKeyHORDYEFBXDPAJA-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine (CID 14964561) is 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine is CSc1cc(N)nc(-c2ccncc2)c1.
What is the InChIKey of 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine?
The InChIKey is HORDYEFBXDPAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-15-9-6-10(14-11(12)7-9)8-2-4-13-5-3-8/h2-7H,1H3,(H2,12,14).
What are the key properties of 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine?
4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine has a molecular weight of 217.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 14964561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).