2-bromo-5-propan-2-ylsulfonylpyrimidine

C7H9BrN2O2S — CID 82279541

IUPAC2-bromo-5-propan-2-ylsulfonylpyrimidine
SMILESCC(C)S(=O)(=O)c1cnc(Br)nc1
InChIInChI=1S/C7H9BrN2O2S/c1-5(2)13(11,12)6-3-9-7(8)10-4-6/h3-5H,1-2H3
InChIKeySRDKBSHUWUKMIP-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.42
Rot. Bonds2

About 2-bromo-5-propan-2-ylsulfonylpyrimidine

2-bromo-5-propan-2-ylsulfonylpyrimidine (PubChem CID 82279541) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 2-bromo-5-propan-2-ylsulfonylpyrimidine.

Molecular Properties

Compound Name2-bromo-5-propan-2-ylsulfonylpyrimidine
PubChem CID82279541
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name2-bromo-5-propan-2-ylsulfonylpyrimidine
SMILESCC(C)S(=O)(=O)c1cnc(Br)nc1
InChIInChI=1S/C7H9BrN2O2S/c1-5(2)13(11,12)6-3-9-7(8)10-4-6/h3-5H,1-2H3
InChIKeySRDKBSHUWUKMIP-UHFFFAOYSA-N
XLogP1.42
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-propan-2-ylsulfonylpyrimidine?
The IUPAC name of 2-bromo-5-propan-2-ylsulfonylpyrimidine (CID 82279541) is 2-bromo-5-propan-2-ylsulfonylpyrimidine.
What is the SMILES notation for 2-bromo-5-propan-2-ylsulfonylpyrimidine?
The canonical SMILES for 2-bromo-5-propan-2-ylsulfonylpyrimidine is CC(C)S(=O)(=O)c1cnc(Br)nc1.
What is the InChIKey of 2-bromo-5-propan-2-ylsulfonylpyrimidine?
The InChIKey is SRDKBSHUWUKMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-5(2)13(11,12)6-3-9-7(8)10-4-6/h3-5H,1-2H3.
What are the key properties of 2-bromo-5-propan-2-ylsulfonylpyrimidine?
2-bromo-5-propan-2-ylsulfonylpyrimidine has a molecular weight of 265.13 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-propan-2-ylsulfonylpyrimidine is sourced from PubChem (CID 82279541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).