5-bromo-2,4-dimethylpyrimidine;ethane

C8H13BrN2 — CID 155723230

IUPAC5-bromo-2,4-dimethylpyrimidine;ethane
SMILESCC.Cc1ncc(Br)c(C)n1
InChIInChI=1S/C6H7BrN2.C2H6/c1-4-6(7)3-8-5(2)9-4;1-2/h3H,1-2H3;1-2H3
InChIKeyHENIWFCNXYHOGY-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.88
Rot. Bonds

About 5-bromo-2,4-dimethylpyrimidine;ethane

5-bromo-2,4-dimethylpyrimidine;ethane (PubChem CID 155723230) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 5-bromo-2,4-dimethylpyrimidine;ethane.

Molecular Properties

Compound Name5-bromo-2,4-dimethylpyrimidine;ethane
PubChem CID155723230
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name5-bromo-2,4-dimethylpyrimidine;ethane
SMILESCC.Cc1ncc(Br)c(C)n1
InChIInChI=1S/C6H7BrN2.C2H6/c1-4-6(7)3-8-5(2)9-4;1-2/h3H,1-2H3;1-2H3
InChIKeyHENIWFCNXYHOGY-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2,4-dimethylpyrimidine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethylpyrimidine;ethane?
The IUPAC name of 5-bromo-2,4-dimethylpyrimidine;ethane (CID 155723230) is 5-bromo-2,4-dimethylpyrimidine;ethane.
What is the SMILES notation for 5-bromo-2,4-dimethylpyrimidine;ethane?
The canonical SMILES for 5-bromo-2,4-dimethylpyrimidine;ethane is CC.Cc1ncc(Br)c(C)n1.
What is the InChIKey of 5-bromo-2,4-dimethylpyrimidine;ethane?
The InChIKey is HENIWFCNXYHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2.C2H6/c1-4-6(7)3-8-5(2)9-4;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 5-bromo-2,4-dimethylpyrimidine;ethane?
5-bromo-2,4-dimethylpyrimidine;ethane has a molecular weight of 217.11 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethylpyrimidine;ethane is sourced from PubChem (CID 155723230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).