6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine

C13H14BrN3O — CID 80988867

IUPAC6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/c1-3-11-16-12(15)8(2)13(17-11)18-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyPVRFCVQEEFAJPT-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.48
Rot. Bonds3

About 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine

6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80988867) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80988867
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C13H14BrN3O/c1-3-11-16-12(15)8(2)13(17-11)18-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyPVRFCVQEEFAJPT-UHFFFAOYSA-N
XLogP3.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine (CID 80988867) is 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is PVRFCVQEEFAJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-11-16-12(15)8(2)13(17-11)18-10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine?
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).