3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine

C11H16BrN3S — CID 104506386

IUPAC3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)C2CCSC2)c1Br
InChIInChI=1S/C11H16BrN3S/c1-7-9(13)5-14-11(10(7)12)15(2)8-3-4-16-6-8/h5,8H,3-4,6,13H2,1-2H3
InChIKeyHYEZHQKYVTUOOC-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.68
Rot. Bonds2

About 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine

3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine (PubChem CID 104506386) has the molecular formula C11H16BrN3S and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine
PubChem CID104506386
Molecular FormulaC11H16BrN3S
Molecular Weight302.24 g/mol
Exact Mass301.02
IUPAC Name3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(N(C)C2CCSC2)c1Br
InChIInChI=1S/C11H16BrN3S/c1-7-9(13)5-14-11(10(7)12)15(2)8-3-4-16-6-8/h5,8H,3-4,6,13H2,1-2H3
InChIKeyHYEZHQKYVTUOOC-UHFFFAOYSA-N
XLogP2.68
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine (CID 104506386) is 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine is Cc1c(N)cnc(N(C)C2CCSC2)c1Br.
What is the InChIKey of 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine?
The InChIKey is HYEZHQKYVTUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3S/c1-7-9(13)5-14-11(10(7)12)15(2)8-3-4-16-6-8/h5,8H,3-4,6,13H2,1-2H3.
What are the key properties of 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine?
3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine has a molecular weight of 302.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N,4-dimethyl-2-N-(thiolan-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 104506386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).