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

C13H13BrFN3O — CID 80862655

IUPAC6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(F)cc2Br)c1C
InChIInChI=1S/C13H13BrFN3O/c1-3-16-12-8(2)13(18-7-17-12)19-11-5-4-9(15)6-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyABRASJWSZDQKLC-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.91
Rot. Bonds4

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

6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80862655) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80862655
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(F)cc2Br)c1C
InChIInChI=1S/C13H13BrFN3O/c1-3-16-12-8(2)13(18-7-17-12)19-11-5-4-9(15)6-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyABRASJWSZDQKLC-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917689
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80875391
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
N-[(2-bromo-5-fluorophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66325616
6-(2-chloro-4-fluorophenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80864915
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine (CID 80862655) is 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(F)cc2Br)c1C.
What is the InChIKey of 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is ABRASJWSZDQKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-3-16-12-8(2)13(18-7-17-12)19-11-5-4-9(15)6-10(11)14/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 326.17 g/mol, XLogP of 3.91, 4 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-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80862655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).