5-bromo-N,6-diethylpyrimidin-4-amine

C8H12BrN3 — CID 66298468

IUPAC5-bromo-N,6-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(CC)c1Br
InChIInChI=1S/C8H12BrN3/c1-3-6-7(9)8(10-4-2)12-5-11-6/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyHLNWKCDESQSIGY-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.23
Rot. Bonds3

About 5-bromo-N,6-diethylpyrimidin-4-amine

5-bromo-N,6-diethylpyrimidin-4-amine (PubChem CID 66298468) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 5-bromo-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-diethylpyrimidin-4-amine
PubChem CID66298468
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name5-bromo-N,6-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(CC)c1Br
InChIInChI=1S/C8H12BrN3/c1-3-6-7(9)8(10-4-2)12-5-11-6/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyHLNWKCDESQSIGY-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-diethylpyrimidin-4-amine (CID 66298468) is 5-bromo-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-diethylpyrimidin-4-amine is CCNc1ncnc(CC)c1Br.
What is the InChIKey of 5-bromo-N,6-diethylpyrimidin-4-amine?
The InChIKey is HLNWKCDESQSIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-3-6-7(9)8(10-4-2)12-5-11-6/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-bromo-N,6-diethylpyrimidin-4-amine?
5-bromo-N,6-diethylpyrimidin-4-amine has a molecular weight of 230.11 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 66298468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).