5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine

C11H8BrCl2N3O — CID 154107304

IUPAC5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(Oc2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C11H8BrCl2N3O/c1-5-9(12)10(17-11(15)16-5)18-8-3-2-6(13)4-7(8)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyAQZVAVLXIOSCTB-UHFFFAOYSA-N
MW349.02 g/mol
LogP4.23
Rot. Bonds2

About 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine

5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 154107304) has the molecular formula C11H8BrCl2N3O and a molecular weight of 349.02 g/mol. Its IUPAC name is 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID154107304
Molecular FormulaC11H8BrCl2N3O
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1nc(N)nc(Oc2ccc(Cl)cc2Cl)c1Br
InChIInChI=1S/C11H8BrCl2N3O/c1-5-9(12)10(17-11(15)16-5)18-8-3-2-6(13)4-7(8)14/h2-4H,1H3,(H2,15,16,17)
InChIKeyAQZVAVLXIOSCTB-UHFFFAOYSA-N
XLogP4.23
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine (CID 154107304) is 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine is Cc1nc(N)nc(Oc2ccc(Cl)cc2Cl)c1Br.
What is the InChIKey of 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is AQZVAVLXIOSCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O/c1-5-9(12)10(17-11(15)16-5)18-8-3-2-6(13)4-7(8)14/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine?
5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 349.02 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,4-dichlorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 154107304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).