3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine

C10H13Cl2N3S — CID 102758460

IUPAC3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine
SMILESCC1CSCCN1c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3S/c1-6-5-16-3-2-15(6)10-8(12)4-7(11)9(13)14-10/h4,6H,2-3,5H2,1H3,(H2,13,14)
InChIKeyJGAMGPNVMBMSJX-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.91
Rot. Bonds1

About 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine

3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine (PubChem CID 102758460) has the molecular formula C10H13Cl2N3S and a molecular weight of 278.21 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine
PubChem CID102758460
Molecular FormulaC10H13Cl2N3S
Molecular Weight278.21 g/mol
Exact Mass277.02
IUPAC Name3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine
SMILESCC1CSCCN1c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2N3S/c1-6-5-16-3-2-15(6)10-8(12)4-7(11)9(13)14-10/h4,6H,2-3,5H2,1H3,(H2,13,14)
InChIKeyJGAMGPNVMBMSJX-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.91
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-(3-methylthiomorpholin-4-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine (CID 102758460) is 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine is CC1CSCCN1c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine?
The InChIKey is JGAMGPNVMBMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3S/c1-6-5-16-3-2-15(6)10-8(12)4-7(11)9(13)14-10/h4,6H,2-3,5H2,1H3,(H2,13,14).
What are the key properties of 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine?
3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine has a molecular weight of 278.21 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine is sourced from PubChem (CID 102758460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).