5-bromo-6-ethylpyrimidin-4-amine

C6H8BrN3 — CID 66299039

IUPAC5-bromo-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(N)c1Br
InChIInChI=1S/C6H8BrN3/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyQKXISDUSLPVLLP-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.38
Rot. Bonds1

About 5-bromo-6-ethylpyrimidin-4-amine

5-bromo-6-ethylpyrimidin-4-amine (PubChem CID 66299039) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 5-bromo-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethylpyrimidin-4-amine
PubChem CID66299039
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name5-bromo-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(N)c1Br
InChIInChI=1S/C6H8BrN3/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyQKXISDUSLPVLLP-UHFFFAOYSA-N
XLogP1.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethylpyrimidin-4-amine (CID 66299039) is 5-bromo-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethylpyrimidin-4-amine is CCc1ncnc(N)c1Br.
What is the InChIKey of 5-bromo-6-ethylpyrimidin-4-amine?
The InChIKey is QKXISDUSLPVLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of 5-bromo-6-ethylpyrimidin-4-amine?
5-bromo-6-ethylpyrimidin-4-amine has a molecular weight of 202.06 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 66299039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).