5-bromo-N,4,6-trimethylpyrimidin-2-amine

C7H10BrN3 — CID 130009212

IUPAC5-bromo-N,4,6-trimethylpyrimidin-2-amine
SMILESCNc1nc(C)c(Br)c(C)n1
InChIInChI=1S/C7H10BrN3/c1-4-6(8)5(2)11-7(9-3)10-4/h1-3H3,(H,9,10,11)
InChIKeyXHQRJRKXUOWHLG-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.90
Rot. Bonds1

About 5-bromo-N,4,6-trimethylpyrimidin-2-amine

5-bromo-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 130009212) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-bromo-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N,4,6-trimethylpyrimidin-2-amine
PubChem CID130009212
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name5-bromo-N,4,6-trimethylpyrimidin-2-amine
SMILESCNc1nc(C)c(Br)c(C)n1
InChIInChI=1S/C7H10BrN3/c1-4-6(8)5(2)11-7(9-3)10-4/h1-3H3,(H,9,10,11)
InChIKeyXHQRJRKXUOWHLG-UHFFFAOYSA-N
XLogP1.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N,4,6-trimethylpyrimidin-2-amine (CID 130009212) is 5-bromo-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N,4,6-trimethylpyrimidin-2-amine is CNc1nc(C)c(Br)c(C)n1.
What is the InChIKey of 5-bromo-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is XHQRJRKXUOWHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-4-6(8)5(2)11-7(9-3)10-4/h1-3H3,(H,9,10,11).
What are the key properties of 5-bromo-N,4,6-trimethylpyrimidin-2-amine?
5-bromo-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 216.08 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 130009212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).