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

C5H6BrN2OPS — CID 71229136

IUPAC(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane
SMILESCSc1ncc(Br)c(OP)n1
InChIInChI=1S/C5H6BrN2OPS/c1-11-5-7-2-3(6)4(8-5)9-10/h2H,10H2,1H3
InChIKeyCWUOXJWBBNXVQJ-UHFFFAOYSA-N
MW253.06 g/mol
LogP2.13
Rot. Bonds2

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

(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane (PubChem CID 71229136) has the molecular formula C5H6BrN2OPS and a molecular weight of 253.06 g/mol. Its IUPAC name is (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane.

Molecular Properties

Compound Name(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane
PubChem CID71229136
Molecular FormulaC5H6BrN2OPS
Molecular Weight253.06 g/mol
Exact Mass251.91
IUPAC Name(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane
SMILESCSc1ncc(Br)c(OP)n1
InChIInChI=1S/C5H6BrN2OPS/c1-11-5-7-2-3(6)4(8-5)9-10/h2H,10H2,1H3
InChIKeyCWUOXJWBBNXVQJ-UHFFFAOYSA-N
XLogP2.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane?
The IUPAC name of (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane (CID 71229136) is (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane.
What is the SMILES notation for (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane?
The canonical SMILES for (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane is CSc1ncc(Br)c(OP)n1.
What is the InChIKey of (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane?
The InChIKey is CWUOXJWBBNXVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN2OPS/c1-11-5-7-2-3(6)4(8-5)9-10/h2H,10H2,1H3.
What are the key properties of (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane?
(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane has a molecular weight of 253.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane is sourced from PubChem (CID 71229136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).