2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine

C15H17BrN2O — CID 107284442

IUPAC2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
SMILESCc1cc(C(C)C)nc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C15H17BrN2O/c1-9(2)13-7-11(4)17-15(18-13)19-14-8-12(16)6-5-10(14)3/h5-9H,1-4H3
InChIKeyPOLHNUCVLPBBTN-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.77
Rot. Bonds3

About 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine

2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine (PubChem CID 107284442) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
PubChem CID107284442
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
SMILESCc1cc(C(C)C)nc(Oc2cc(Br)ccc2C)n1
InChIInChI=1S/C15H17BrN2O/c1-9(2)13-7-11(4)17-15(18-13)19-14-8-12(16)6-5-10(14)3/h5-9H,1-4H3
InChIKeyPOLHNUCVLPBBTN-UHFFFAOYSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 113491450
4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107287473
3-bromo-5-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyaniline
CID 103589085
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyphenyl]methanol
CID 107713463
6-(5-bromo-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 107287481
[6-(5-bromo-2-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 107287677
2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107672524
4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 107287620
4-bromo-2-methyl-6-propan-2-ylpyridine
CID 91619872
2-(5-bromo-2-methylphenoxy)-6-methylpyridine-4-carboxylic acid
CID 107283603
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
CID 107284882
4-bromo-6-(5-bromo-2-methylphenoxy)-2-tert-butylpyrimidine
CID 107283694

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine (CID 107284442) is 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine is Cc1cc(C(C)C)nc(Oc2cc(Br)ccc2C)n1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine?
The InChIKey is POLHNUCVLPBBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9(2)13-7-11(4)17-15(18-13)19-14-8-12(16)6-5-10(14)3/h5-9H,1-4H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine?
2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine has a molecular weight of 321.22 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 107284442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).