(5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol

C6H7BrN2OS — CID 66524860

IUPAC(5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol
SMILESCSc1ncc(Br)c(CO)n1
InChIInChI=1S/C6H7BrN2OS/c1-11-6-8-2-4(7)5(3-10)9-6/h2,10H,3H2,1H3
InChIKeyFTRLNWHDSFOBEJ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.45
Rot. Bonds2

About (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol

(5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol (PubChem CID 66524860) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol
PubChem CID66524860
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name(5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol
SMILESCSc1ncc(Br)c(CO)n1
InChIInChI=1S/C6H7BrN2OS/c1-11-6-8-2-4(7)5(3-10)9-6/h2,10H,3H2,1H3
InChIKeyFTRLNWHDSFOBEJ-UHFFFAOYSA-N
XLogP1.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.45
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-yl)methanol?
The IUPAC name of (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol (CID 66524860) is (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol?
The canonical SMILES for (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol is CSc1ncc(Br)c(CO)n1.
What is the InChIKey of (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol?
The InChIKey is FTRLNWHDSFOBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-11-6-8-2-4(7)5(3-10)9-6/h2,10H,3H2,1H3.
What are the key properties of (5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol?
(5-bromo-2-methylsulfanylpyrimidin-4-yl)methanol has a molecular weight of 235.11 g/mol, XLogP of 1.45, 2 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-yl)methanol is sourced from PubChem (CID 66524860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).