5-bromo-N,N-diethylpyrimidin-2-amine

C8H12BrN3 — CID 5200730

IUPAC5-bromo-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3/c1-3-12(4-2)8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyAKTJBOBIMUJVHD-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.09
Rot. Bonds3

About 5-bromo-N,N-diethylpyrimidin-2-amine

5-bromo-N,N-diethylpyrimidin-2-amine (PubChem CID 5200730) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 5-bromo-N,N-diethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N,N-diethylpyrimidin-2-amine
PubChem CID5200730
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name5-bromo-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3/c1-3-12(4-2)8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3
InChIKeyAKTJBOBIMUJVHD-UHFFFAOYSA-N
XLogP2.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.09
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-diethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N,N-diethylpyrimidin-2-amine (CID 5200730) is 5-bromo-N,N-diethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N,N-diethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N,N-diethylpyrimidin-2-amine is CCN(CC)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N,N-diethylpyrimidin-2-amine?
The InChIKey is AKTJBOBIMUJVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-3-12(4-2)8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N,N-diethylpyrimidin-2-amine?
5-bromo-N,N-diethylpyrimidin-2-amine has a molecular weight of 230.11 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-diethylpyrimidin-2-amine is sourced from PubChem (CID 5200730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).