5-bromo-2-methylsulfanylpyrimidin-4-amine

C5H6BrN3S — CID 613536

IUPAC5-bromo-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(Br)c(N)n1
InChIInChI=1S/C5H6BrN3S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKeyMFIUOLXXTVYCLR-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.54
Rot. Bonds1

About 5-bromo-2-methylsulfanylpyrimidin-4-amine

5-bromo-2-methylsulfanylpyrimidin-4-amine (PubChem CID 613536) has the molecular formula C5H6BrN3S and a molecular weight of 220.09 g/mol. Its IUPAC name is 5-bromo-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methylsulfanylpyrimidin-4-amine
PubChem CID613536
Molecular FormulaC5H6BrN3S
Molecular Weight220.09 g/mol
Exact Mass218.95
IUPAC Name5-bromo-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(Br)c(N)n1
InChIInChI=1S/C5H6BrN3S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
InChIKeyMFIUOLXXTVYCLR-UHFFFAOYSA-N
XLogP1.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methylsulfanylpyrimidin-4-amine (CID 613536) is 5-bromo-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methylsulfanylpyrimidin-4-amine is CSc1ncc(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is MFIUOLXXTVYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9).
What are the key properties of 5-bromo-2-methylsulfanylpyrimidin-4-amine?
5-bromo-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 220.09 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 613536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).