2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine

C13H12F3N3OS — CID 145083621

IUPAC2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine
SMILESCOc1cc(Sc2cc(N)cc(C(F)(F)F)n2)cc(C)n1
InChIInChI=1S/C13H12F3N3OS/c1-7-3-9(6-11(18-7)20-2)21-12-5-8(17)4-10(19-12)13(14,15)16/h3-6H,1-2H3,(H2,17,19)
InChIKeyHNCBUHSROQMTRO-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.55
Rot. Bonds3

About 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine

2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 145083621) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine
PubChem CID145083621
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine
SMILESCOc1cc(Sc2cc(N)cc(C(F)(F)F)n2)cc(C)n1
InChIInChI=1S/C13H12F3N3OS/c1-7-3-9(6-11(18-7)20-2)21-12-5-8(17)4-10(19-12)13(14,15)16/h3-6H,1-2H3,(H2,17,19)
InChIKeyHNCBUHSROQMTRO-UHFFFAOYSA-N
XLogP3.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine (CID 145083621) is 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine is COc1cc(Sc2cc(N)cc(C(F)(F)F)n2)cc(C)n1.
What is the InChIKey of 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine?
The InChIKey is HNCBUHSROQMTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-7-3-9(6-11(18-7)20-2)21-12-5-8(17)4-10(19-12)13(14,15)16/h3-6H,1-2H3,(H2,17,19).
What are the key properties of 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine?
2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 315.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-6-methyl-4-pyridinyl)sulfanyl]-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 145083621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).