6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine

C15H17BrFN3O — CID 80988469

IUPAC6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Oc2ccc(F)cc2Br)c1C
InChIInChI=1S/C15H17BrFN3O/c1-4-13-19-14(18-5-2)9(3)15(20-13)21-12-7-6-10(17)8-11(12)16/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyHAUXXNVNSLDWFO-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.47
Rot. Bonds5

About 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine

6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 80988469) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID80988469
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(Oc2ccc(F)cc2Br)c1C
InChIInChI=1S/C15H17BrFN3O/c1-4-13-19-14(18-5-2)9(3)15(20-13)21-12-7-6-10(17)8-11(12)16/h6-8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyHAUXXNVNSLDWFO-UHFFFAOYSA-N
XLogP4.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-chlorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989565
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988049
[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol
CID 80990380
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988091
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
5-(2-bromo-4-fluorophenoxy)-N-ethylpyridin-3-amine
CID 104536313
N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296558
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80989830
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine (CID 80988469) is 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(Oc2ccc(F)cc2Br)c1C.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is HAUXXNVNSLDWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-4-13-19-14(18-5-2)9(3)15(20-13)21-12-7-6-10(17)8-11(12)16/h6-8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 354.22 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).