5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine

C7H9BrClN3OS — CID 90303744

IUPAC5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine
SMILESCCNc1nc(S(C)=O)nc(Cl)c1Br
InChIInChI=1S/C7H9BrClN3OS/c1-3-10-6-4(8)5(9)11-7(12-6)14(2)13/h3H2,1-2H3,(H,10,11,12)
InChIKeyJOOMLOIEBQFNRG-UHFFFAOYSA-N
MW298.59 g/mol
LogP2.06
Rot. Bonds3

About 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine

5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine (PubChem CID 90303744) has the molecular formula C7H9BrClN3OS and a molecular weight of 298.59 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine
PubChem CID90303744
Molecular FormulaC7H9BrClN3OS
Molecular Weight298.59 g/mol
Exact Mass296.93
IUPAC Name5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine
SMILESCCNc1nc(S(C)=O)nc(Cl)c1Br
InChIInChI=1S/C7H9BrClN3OS/c1-3-10-6-4(8)5(9)11-7(12-6)14(2)13/h3H2,1-2H3,(H,10,11,12)
InChIKeyJOOMLOIEBQFNRG-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine 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-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine (CID 90303744) is 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine is CCNc1nc(S(C)=O)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine?
The InChIKey is JOOMLOIEBQFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3OS/c1-3-10-6-4(8)5(9)11-7(12-6)14(2)13/h3H2,1-2H3,(H,10,11,12).
What are the key properties of 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine?
5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine has a molecular weight of 298.59 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine is sourced from PubChem (CID 90303744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).