N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C12H11BrN4OS — CID 20913583

IUPACN-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(Br)cn2)c(C)n1
InChIInChI=1S/C12H11BrN4OS/c1-7-9(6-15-12(16-7)19-2)11(18)17-10-4-3-8(13)5-14-10/h3-6H,1-2H3,(H,14,17,18)
InChIKeyXGNBJOXXILLDQA-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.92
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913583) has the molecular formula C12H11BrN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913583
Molecular FormulaC12H11BrN4OS
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC NameN-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(Br)cn2)c(C)n1
InChIInChI=1S/C12H11BrN4OS/c1-7-9(6-15-12(16-7)19-2)11(18)17-10-4-3-8(13)5-14-10/h3-6H,1-2H3,(H,14,17,18)
InChIKeyXGNBJOXXILLDQA-UHFFFAOYSA-N
XLogP2.92
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913583) is N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2ccc(Br)cn2)c(C)n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is XGNBJOXXILLDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4OS/c1-7-9(6-15-12(16-7)19-2)11(18)17-10-4-3-8(13)5-14-10/h3-6H,1-2H3,(H,14,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 339.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).