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

C5H5BrClN3OS — CID 86677016

IUPAC5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine
SMILESCS(=O)c1nc(N)c(Br)c(Cl)n1
InChIInChI=1S/C5H5BrClN3OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyOKCBVYPRVWJFRT-UHFFFAOYSA-N
MW270.54 g/mol
LogP1.21
Rot. Bonds1

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

5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine (PubChem CID 86677016) has the molecular formula C5H5BrClN3OS and a molecular weight of 270.54 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine
PubChem CID86677016
Molecular FormulaC5H5BrClN3OS
Molecular Weight270.54 g/mol
Exact Mass268.90
IUPAC Name5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine
SMILESCS(=O)c1nc(N)c(Br)c(Cl)n1
InChIInChI=1S/C5H5BrClN3OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyOKCBVYPRVWJFRT-UHFFFAOYSA-N
XLogP1.21
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-chloro-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

Related Compounds

5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
CID 261187
5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-amine
CID 12369427
6-Chloro-5-iodo-2-(methylthio)pyrimidin-4-amine
CID 319467
6-Chloro-5-fluoro-2-(methylsulfanyl)pyrimidin-4-amine
CID 129164600
6-Chloro-5-fluoro-2-methanesulfonylpyrimidin-4-amine
CID 129164603
6-Chloro-5-methyl-2-methylsulfinylpyrimidin-4-amine;hydrochloride
CID 20343191
6-Chloro-5-methyl-2-methylsulfinylpyrimidin-4-amine
CID 20343192
6-Chloro-5-methyl-2-methylsulfonylpyrimidin-4-amine
CID 20343197
5-Bromo-2-(methylthio)pyrimidine-4,6-diamine
CID 83867197
5,6-Dichloro-2-(methylthio)pyrimidin-4-amine
CID 88738842
5-bromo-6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 90303735
5-bromo-6-chloro-N-ethyl-2-methylsulfinylpyrimidin-4-amine
CID 90303744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine (CID 86677016) is 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine is CS(=O)c1nc(N)c(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine?
The InChIKey is OKCBVYPRVWJFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClN3OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10).
What are the key properties of 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine?
5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine has a molecular weight of 270.54 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2-methylsulfinylpyrimidin-4-amine is sourced from PubChem (CID 86677016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).