5-bromo-2-methylsulfanylpyrimidine-4,6-diamine

C5H7BrN4S — CID 83867197

IUPAC5-bromo-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)c(Br)c(N)n1
InChIInChI=1S/C5H7BrN4S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H4,7,8,9,10)
InChIKeyGHIZBIICTBTLRC-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.13
Rot. Bonds1

About 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine

5-bromo-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 83867197) has the molecular formula C5H7BrN4S and a molecular weight of 235.11 g/mol. Its IUPAC name is 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID83867197
Molecular FormulaC5H7BrN4S
Molecular Weight235.11 g/mol
Exact Mass233.96
IUPAC Name5-bromo-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)c(Br)c(N)n1
InChIInChI=1S/C5H7BrN4S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H4,7,8,9,10)
InChIKeyGHIZBIICTBTLRC-UHFFFAOYSA-N
XLogP1.13
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine (CID 83867197) is 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)c(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is GHIZBIICTBTLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H4,7,8,9,10).
What are the key properties of 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine?
5-bromo-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 235.11 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 83867197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).