6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine

C13H14BrN3O — CID 80869818

IUPAC6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cccc(Br)c2)c1C
InChIInChI=1S/C13H14BrN3O/c1-3-15-12-9(2)13(17-8-16-12)18-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyQNLMLXIKHHPVEQ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.77
Rot. Bonds4

About 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine

6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80869818) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80869818
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cccc(Br)c2)c1C
InChIInChI=1S/C13H14BrN3O/c1-3-15-12-9(2)13(17-8-16-12)18-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyQNLMLXIKHHPVEQ-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794434
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine (CID 80869818) is 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Oc2cccc(Br)c2)c1C.
What is the InChIKey of 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is QNLMLXIKHHPVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-15-12-9(2)13(17-8-16-12)18-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80869818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).