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

C7H10BrN3 — CID 82373599

IUPAC5-bromo-N,N,4-trimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)ncc1Br
InChIInChI=1S/C7H10BrN3/c1-5-6(8)4-9-7(10-5)11(2)3/h4H,1-3H3
InChIKeyXYVGYROXVVYBGV-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.61
Rot. Bonds1

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

5-bromo-N,N,4-trimethylpyrimidin-2-amine (PubChem CID 82373599) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-bromo-N,N,4-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N,N,4-trimethylpyrimidin-2-amine
PubChem CID82373599
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name5-bromo-N,N,4-trimethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)ncc1Br
InChIInChI=1S/C7H10BrN3/c1-5-6(8)4-9-7(10-5)11(2)3/h4H,1-3H3
InChIKeyXYVGYROXVVYBGV-UHFFFAOYSA-N
XLogP1.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N,4-trimethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N,N,4-trimethylpyrimidin-2-amine (CID 82373599) is 5-bromo-N,N,4-trimethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N,N,4-trimethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N,N,4-trimethylpyrimidin-2-amine is Cc1nc(N(C)C)ncc1Br.
What is the InChIKey of 5-bromo-N,N,4-trimethylpyrimidin-2-amine?
The InChIKey is XYVGYROXVVYBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-5-6(8)4-9-7(10-5)11(2)3/h4H,1-3H3.
What are the key properties of 5-bromo-N,N,4-trimethylpyrimidin-2-amine?
5-bromo-N,N,4-trimethylpyrimidin-2-amine has a molecular weight of 216.08 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N,4-trimethylpyrimidin-2-amine is sourced from PubChem (CID 82373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).