N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide

C8H10BrN3OS — CID 767988

IUPACN-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1nc(NC(C)=O)nc(C)c1Br
InChIInChI=1S/C8H10BrN3OS/c1-4-6(9)7(14-3)12-8(10-4)11-5(2)13/h1-3H3,(H,10,11,12,13)
InChIKeyMKWNGJLXKMZCBV-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.23
Rot. Bonds2

About N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide

N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (PubChem CID 767988) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
PubChem CID767988
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC NameN-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide
SMILESCSc1nc(NC(C)=O)nc(C)c1Br
InChIInChI=1S/C8H10BrN3OS/c1-4-6(9)7(14-3)12-8(10-4)11-5(2)13/h1-3H3,(H,10,11,12,13)
InChIKeyMKWNGJLXKMZCBV-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 742810
CID 742810
CID 697664
CID 697664
CID 704659
CID 704659
CID 658012
CID 658012
CID 657978
CID 657978
CID 766323
CID 766323
CID 237635
CID 237635
CID 126456569
CID 126456569
CID 20475727
CID 20475727
CID 13303537
CID 13303537
CID 130639451
CID 130639451
CID 130655194
CID 130655194

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The IUPAC name of N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide (CID 767988) is N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is CSc1nc(NC(C)=O)nc(C)c1Br.
What is the InChIKey of N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
The InChIKey is MKWNGJLXKMZCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c1-4-6(9)7(14-3)12-8(10-4)11-5(2)13/h1-3H3,(H,10,11,12,13).
What are the key properties of N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide?
N-(5-bromo-4-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide has a molecular weight of 276.16 g/mol, XLogP of 2.23, 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-methyl-6-methylsulfanylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 767988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).