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

C14H15BrN2O — CID 61240355

IUPAC4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine
SMILESCc1ccc(Oc2cc(C(C)C)ncn2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-9(2)12-7-14(17-8-16-12)18-13-5-4-10(3)6-11(13)15/h4-9H,1-3H3
InChIKeyXAMKCYNHCXBAOI-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.46
Rot. Bonds3

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

4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine (PubChem CID 61240355) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine
PubChem CID61240355
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine
SMILESCc1ccc(Oc2cc(C(C)C)ncn2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-9(2)12-7-14(17-8-16-12)18-13-5-4-10(3)6-11(13)15/h4-9H,1-3H3
InChIKeyXAMKCYNHCXBAOI-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056639
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
CID 107373728
4-(2-bromo-4-methylphenoxy)-3-methyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 114203115
4-chloro-6-(2,4-dimethylphenoxy)pyrimidine
CID 60726049
4-(2-bromo-4-methylphenoxy)quinazolin-6-amine
CID 64588727
[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
CID 65471579
6-(2-bromo-4-methylphenoxy)-2-ethoxypyridin-3-amine
CID 43262424
6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine
CID 80859491
3,5-dichloro-4-(6-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 153374438

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine (CID 61240355) is 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine is Cc1ccc(Oc2cc(C(C)C)ncn2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine?
The InChIKey is XAMKCYNHCXBAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9(2)12-7-14(17-8-16-12)18-13-5-4-10(3)6-11(13)15/h4-9H,1-3H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine?
4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine has a molecular weight of 307.19 g/mol, XLogP of 4.46, 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-methylphenoxy)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 61240355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).