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

C14H14BrFN2O — CID 113491450

IUPAC2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine
SMILESCc1cc(C(C)C)nc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C14H14BrFN2O/c1-8(2)12-6-9(3)17-14(18-12)19-13-5-4-10(16)7-11(13)15/h4-8H,1-3H3
InChIKeyRHABLYNXFMXKSL-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.60
Rot. Bonds3

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

2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine (PubChem CID 113491450) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine
PubChem CID113491450
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine
SMILESCc1cc(C(C)C)nc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C14H14BrFN2O/c1-8(2)12-6-9(3)17-14(18-12)19-13-5-4-10(16)7-11(13)15/h4-8H,1-3H3
InChIKeyRHABLYNXFMXKSL-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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Related Compounds

2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 107284442
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyphenyl]methanol
CID 107713463
N-[[2-(2-bromo-4-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83186680
3-bromo-5-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyaniline
CID 103589085
2-(2-bromophenoxy)-6-methylpyrimidin-4-amine
CID 90313951
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine
CID 62785834
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784
2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107677350
N-[[2-(2-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296558
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine (CID 113491450) is 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine is Cc1cc(C(C)C)nc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine?
The InChIKey is RHABLYNXFMXKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-8(2)12-6-9(3)17-14(18-12)19-13-5-4-10(16)7-11(13)15/h4-8H,1-3H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine?
2-(2-bromo-4-fluorophenoxy)-4-methyl-6-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 2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 113491450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).