6-bromo-1,3-dimethyl-2H-perimidine

C13H13BrN2 — CID 2331023

IUPAC6-bromo-1,3-dimethyl-2H-perimidine
SMILESCN1CN(C)c2ccc(Br)c3cccc1c23
InChIInChI=1S/C13H13BrN2/c1-15-8-16(2)12-7-6-10(14)9-4-3-5-11(15)13(9)12/h3-7H,8H2,1-2H3
InChIKeyXZUUEGKXOCXGJV-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.45
Rot. Bonds

About 6-bromo-1,3-dimethyl-2H-perimidine

6-bromo-1,3-dimethyl-2H-perimidine (PubChem CID 2331023) has the molecular formula C13H13BrN2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 6-bromo-1,3-dimethyl-2H-perimidine.

Molecular Properties

Compound Name6-bromo-1,3-dimethyl-2H-perimidine
PubChem CID2331023
Molecular FormulaC13H13BrN2
Molecular Weight277.16 g/mol
Exact Mass276.03
IUPAC Name6-bromo-1,3-dimethyl-2H-perimidine
SMILESCN1CN(C)c2ccc(Br)c3cccc1c23
InChIInChI=1S/C13H13BrN2/c1-15-8-16(2)12-7-6-10(14)9-4-3-5-11(15)13(9)12/h3-7H,8H2,1-2H3
InChIKeyXZUUEGKXOCXGJV-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethyl-2H-perimidine?
The IUPAC name of 6-bromo-1,3-dimethyl-2H-perimidine (CID 2331023) is 6-bromo-1,3-dimethyl-2H-perimidine.
What is the SMILES notation for 6-bromo-1,3-dimethyl-2H-perimidine?
The canonical SMILES for 6-bromo-1,3-dimethyl-2H-perimidine is CN1CN(C)c2ccc(Br)c3cccc1c23.
What is the InChIKey of 6-bromo-1,3-dimethyl-2H-perimidine?
The InChIKey is XZUUEGKXOCXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2/c1-15-8-16(2)12-7-6-10(14)9-4-3-5-11(15)13(9)12/h3-7H,8H2,1-2H3.
What are the key properties of 6-bromo-1,3-dimethyl-2H-perimidine?
6-bromo-1,3-dimethyl-2H-perimidine has a molecular weight of 277.16 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethyl-2H-perimidine is sourced from PubChem (CID 2331023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).