6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine

C15H17Br2N3O — CID 80939111

IUPAC6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2Br)nc(CC)n1
InChIInChI=1S/C15H17Br2N3O/c1-3-7-18-14-9-15(20-13(4-2)19-14)21-12-6-5-10(16)8-11(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyZKBKWTLZGYHNBX-UHFFFAOYSA-N
MW415.13 g/mol
LogP5.18
Rot. Bonds6

About 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine

6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80939111) has the molecular formula C15H17Br2N3O and a molecular weight of 415.13 g/mol. Its IUPAC name is 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
PubChem CID80939111
Molecular FormulaC15H17Br2N3O
Molecular Weight415.13 g/mol
Exact Mass412.97
IUPAC Name6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccc(Br)cc2Br)nc(CC)n1
InChIInChI=1S/C15H17Br2N3O/c1-3-7-18-14-9-15(20-13(4-2)19-14)21-12-6-5-10(16)8-11(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyZKBKWTLZGYHNBX-UHFFFAOYSA-N
XLogP5.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.13
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dichlorophenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938694
6-(5-bromo-2-chlorophenoxy)-N,2-diethylpyrimidin-4-amine
CID 80941871
6-(2,3-dimethylphenoxy)-2-ethyl-N-propylpyrimidin-4-amine
CID 80938683
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
6-(2-bromo-4-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881961
2-ethyl-6-(2-fluoro-3-methylphenoxy)-N-propylpyrimidin-4-amine
CID 107662786
6-(2-bromo-4-fluorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80863475
6-(4-bromo-2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881920
6-(4-bromo-2-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80881844
[6-(2-bromo-4-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80940833
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine (CID 80939111) is 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccc(Br)cc2Br)nc(CC)n1.
What is the InChIKey of 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is ZKBKWTLZGYHNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3O/c1-3-7-18-14-9-15(20-13(4-2)19-14)21-12-6-5-10(16)8-11(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine?
6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 415.13 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dibromophenoxy)-2-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).