3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine

C12H17Cl2N3S — CID 102760058

IUPAC3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCSC(C)C2C)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3S/c1-7-8(2)18-5-4-17(7)12-10(14)6-9(13)11(15-3)16-12/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyRVTZFTAIWQAGLF-UHFFFAOYSA-N
MW306.26 g/mol
LogP3.76
Rot. Bonds2

About 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine

3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine (PubChem CID 102760058) has the molecular formula C12H17Cl2N3S and a molecular weight of 306.26 g/mol. Its IUPAC name is 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine
PubChem CID102760058
Molecular FormulaC12H17Cl2N3S
Molecular Weight306.26 g/mol
Exact Mass305.05
IUPAC Name3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine
SMILESCNc1nc(N2CCSC(C)C2C)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3S/c1-7-8(2)18-5-4-17(7)12-10(14)6-9(13)11(15-3)16-12/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyRVTZFTAIWQAGLF-UHFFFAOYSA-N
XLogP3.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine (CID 102760058) is 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine is CNc1nc(N2CCSC(C)C2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine?
The InChIKey is RVTZFTAIWQAGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3S/c1-7-8(2)18-5-4-17(7)12-10(14)6-9(13)11(15-3)16-12/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine?
3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine has a molecular weight of 306.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(2,3-dimethylthiomorpholin-4-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 102760058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).