2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione

C5H6BrN3S — CID 5125113

IUPAC2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1Br
InChIInChI=1S/C5H6BrN3S/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyTZCNIJIIKICBCC-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.79
Rot. Bonds

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

2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione (PubChem CID 5125113) has the molecular formula C5H6BrN3S and a molecular weight of 220.09 g/mol. Its IUPAC name is 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione
PubChem CID5125113
Molecular FormulaC5H6BrN3S
Molecular Weight220.09 g/mol
Exact Mass218.95
IUPAC Name2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1Br
InChIInChI=1S/C5H6BrN3S/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyTZCNIJIIKICBCC-UHFFFAOYSA-N
XLogP1.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione (CID 5125113) is 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione is Cc1[nH]c(N)nc(=S)c1Br.
What is the InChIKey of 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is TZCNIJIIKICBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3S/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione?
2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 220.09 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 5125113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).