4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine

C14H14BrFN2O — CID 43395637

IUPAC4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(Oc2ccc(F)cc2Br)nc(C(C)C)n1
InChIInChI=1S/C14H14BrFN2O/c1-8(2)14-17-9(3)6-13(18-14)19-12-5-4-10(16)7-11(12)15/h4-8H,1-3H3
InChIKeyYPXZTGPXDORNCP-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.60
Rot. Bonds3

About 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine

4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine (PubChem CID 43395637) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine
PubChem CID43395637
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine
SMILESCc1cc(Oc2ccc(F)cc2Br)nc(C(C)C)n1
InChIInChI=1S/C14H14BrFN2O/c1-8(2)14-17-9(3)6-13(18-14)19-12-5-4-10(16)7-11(12)15/h4-8H,1-3H3
InChIKeyYPXZTGPXDORNCP-UHFFFAOYSA-N
XLogP4.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine (CID 43395637) is 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine is Cc1cc(Oc2ccc(F)cc2Br)nc(C(C)C)n1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine?
The InChIKey is YPXZTGPXDORNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-8(2)14-17-9(3)6-13(18-14)19-12-5-4-10(16)7-11(12)15/h4-8H,1-3H3.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine?
4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine has a molecular weight of 325.18 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-6-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 43395637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).