6-(2-bromophenoxy)-N-methylpyrimidin-4-amine

C11H10BrN3O — CID 80859646

IUPAC6-(2-bromophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2Br)ncn1
InChIInChI=1S/C11H10BrN3O/c1-13-10-6-11(15-7-14-10)16-9-5-3-2-4-8(9)12/h2-7H,1H3,(H,13,14,15)
InChIKeyFZXFZMFFYMWGOU-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.07
Rot. Bonds3

About 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine

6-(2-bromophenoxy)-N-methylpyrimidin-4-amine (PubChem CID 80859646) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenoxy)-N-methylpyrimidin-4-amine
PubChem CID80859646
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name6-(2-bromophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccccc2Br)ncn1
InChIInChI=1S/C11H10BrN3O/c1-13-10-6-11(15-7-14-10)16-9-5-3-2-4-8(9)12/h2-7H,1H3,(H,13,14,15)
InChIKeyFZXFZMFFYMWGOU-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine (CID 80859646) is 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2ccccc2Br)ncn1.
What is the InChIKey of 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is FZXFZMFFYMWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-13-10-6-11(15-7-14-10)16-9-5-3-2-4-8(9)12/h2-7H,1H3,(H,13,14,15).
What are the key properties of 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine?
6-(2-bromophenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 280.12 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80859646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).