5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione

C9H7BrN4S — CID 106479090

IUPAC5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cnccn2)nc(=S)c1Br
InChIInChI=1S/C9H7BrN4S/c1-5-7(10)9(15)14-8(13-5)6-4-11-2-3-12-6/h2-4H,1H3,(H,13,14,15)
InChIKeyDQZLXXUCOLMNFP-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.67
Rot. Bonds1

About 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione

5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione (PubChem CID 106479090) has the molecular formula C9H7BrN4S and a molecular weight of 283.15 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione
PubChem CID106479090
Molecular FormulaC9H7BrN4S
Molecular Weight283.15 g/mol
Exact Mass281.96
IUPAC Name5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cnccn2)nc(=S)c1Br
InChIInChI=1S/C9H7BrN4S/c1-5-7(10)9(15)14-8(13-5)6-4-11-2-3-12-6/h2-4H,1H3,(H,13,14,15)
InChIKeyDQZLXXUCOLMNFP-UHFFFAOYSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-methyl-2-phenyl-1H-pyrimidine-4-thione
CID 106479091
5-bromo-6-methyl-2-(1,3-thiazol-5-yl)-1H-pyrimidine-4-thione
CID 106479222
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)pyrazine
CID 20684000
5-bromo-6-tert-butyl-2-(4-methyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106479686
2-(4-bromo-3,5-dimethylphenyl)pyrazine
CID 86697321
5-bromo-N-ethyl-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305081
5-bromo-6-methyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305058
7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one
CID 136999264
5-bromo-6-cyclopentyl-2-(2-methylpyrimidin-4-yl)-1H-pyrimidine-4-thione
CID 106482123
2-(3-ethyl-4-pyridinyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477890
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
CID 83647798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione (CID 106479090) is 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(-c2cnccn2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione?
The InChIKey is DQZLXXUCOLMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4S/c1-5-7(10)9(15)14-8(13-5)6-4-11-2-3-12-6/h2-4H,1H3,(H,13,14,15).
What are the key properties of 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione?
5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione has a molecular weight of 283.15 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-pyrazin-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).