[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol

C12H11BrN2O2 — CID 114219948

IUPAC[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O2/c1-8-6-10(7-16)15-12(14-8)17-11-4-2-9(13)3-5-11/h2-6,16H,7H2,1H3
InChIKeyCINXCOYTFVLIJH-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.83
Rot. Bonds3

About [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol

[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol (PubChem CID 114219948) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol
PubChem CID114219948
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O2/c1-8-6-10(7-16)15-12(14-8)17-11-4-2-9(13)3-5-11/h2-6,16H,7H2,1H3
InChIKeyCINXCOYTFVLIJH-UHFFFAOYSA-N
XLogP2.83
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676
[2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol
CID 114219978
2-(4-bromophenoxy)-4-methylpyrimidine
CID 62958719
[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 107542656
2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
CID 113292889
[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
CID 79869654
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
CID 3858351
[5-(4-bromophenoxy)pyrazin-2-yl]methanol
CID 107373072
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
CID 107710034
[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol
CID 83179440
4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80864197

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol (CID 114219948) is [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol is Cc1cc(CO)nc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is CINXCOYTFVLIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-6-10(7-16)15-12(14-8)17-11-4-2-9(13)3-5-11/h2-6,16H,7H2,1H3.
What are the key properties of [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol?
[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 295.14 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 114219948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).