6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine

C14H15BrFN3 — CID 106646886

IUPAC6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(Br)c2F)c1CC
InChIInChI=1S/C14H15BrFN3/c1-3-9-13(18-8-19-14(9)17-4-2)10-6-5-7-11(15)12(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyLJBOSALMJZZVRB-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.04
Rot. Bonds4

About 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine

6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine (PubChem CID 106646886) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
PubChem CID106646886
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cccc(Br)c2F)c1CC
InChIInChI=1S/C14H15BrFN3/c1-3-9-13(18-8-19-14(9)17-4-2)10-6-5-7-11(15)12(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyLJBOSALMJZZVRB-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine (CID 106646886) is 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(-c2cccc(Br)c2F)c1CC.
What is the InChIKey of 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is LJBOSALMJZZVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-3-9-13(18-8-19-14(9)17-4-2)10-6-5-7-11(15)12(10)16/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine?
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 106646886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).