5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine

C6H8BrN3OS — CID 83867203

IUPAC5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1nc(SC)nc(N)c1Br
InChIInChI=1S/C6H8BrN3OS/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3,(H2,8,9,10)
InChIKeyMMPPHMVHKSOTIC-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.55
Rot. Bonds2

About 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine

5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine (PubChem CID 83867203) has the molecular formula C6H8BrN3OS and a molecular weight of 250.12 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
PubChem CID83867203
Molecular FormulaC6H8BrN3OS
Molecular Weight250.12 g/mol
Exact Mass248.96
IUPAC Name5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1nc(SC)nc(N)c1Br
InChIInChI=1S/C6H8BrN3OS/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3,(H2,8,9,10)
InChIKeyMMPPHMVHKSOTIC-UHFFFAOYSA-N
XLogP1.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine (CID 83867203) is 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine is COc1nc(SC)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is MMPPHMVHKSOTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3OS/c1-11-5-3(7)4(8)9-6(10-5)12-2/h1-2H3,(H2,8,9,10).
What are the key properties of 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine?
5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 250.12 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 83867203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).