N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide

C6H8BrN3O2S — CID 67280006

IUPACN-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)ncc1Br
InChIInChI=1S/C6H8BrN3O2S/c1-4-5(7)3-8-6(9-4)10-13(2,11)12/h3H,1-2H3,(H,8,9,10)
InChIKeyDVQNSGQXWQEHNZ-UHFFFAOYSA-N
MW266.12 g/mol
LogP0.92
Rot. Bonds2

About N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide

N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide (PubChem CID 67280006) has the molecular formula C6H8BrN3O2S and a molecular weight of 266.12 g/mol. Its IUPAC name is N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide
PubChem CID67280006
Molecular FormulaC6H8BrN3O2S
Molecular Weight266.12 g/mol
Exact Mass264.95
IUPAC NameN-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide
SMILESCc1nc(NS(C)(=O)=O)ncc1Br
InChIInChI=1S/C6H8BrN3O2S/c1-4-5(7)3-8-6(9-4)10-13(2,11)12/h3H,1-2H3,(H,8,9,10)
InChIKeyDVQNSGQXWQEHNZ-UHFFFAOYSA-N
XLogP0.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide?
The IUPAC name of N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide (CID 67280006) is N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide is Cc1nc(NS(C)(=O)=O)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide?
The InChIKey is DVQNSGQXWQEHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2S/c1-4-5(7)3-8-6(9-4)10-13(2,11)12/h3H,1-2H3,(H,8,9,10).
What are the key properties of N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide?
N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide has a molecular weight of 266.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide is sourced from PubChem (CID 67280006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).