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

C6H8BrN3O — CID 83867148

IUPAC5-bromo-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1nc(C)nc(N)c1Br
InChIInChI=1S/C6H8BrN3O/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3,(H2,8,9,10)
InChIKeyXBHXOLZOGMSFJB-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.14
Rot. Bonds1

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

5-bromo-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 83867148) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID83867148
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name5-bromo-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1nc(C)nc(N)c1Br
InChIInChI=1S/C6H8BrN3O/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3,(H2,8,9,10)
InChIKeyXBHXOLZOGMSFJB-UHFFFAOYSA-N
XLogP1.14
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methoxy-2-methylpyrimidin-4-amine (CID 83867148) is 5-bromo-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methoxy-2-methylpyrimidin-4-amine is COc1nc(C)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is XBHXOLZOGMSFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-3-9-5(8)4(7)6(10-3)11-2/h1-2H3,(H2,8,9,10).
What are the key properties of 5-bromo-6-methoxy-2-methylpyrimidin-4-amine?
5-bromo-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 218.05 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 83867148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).