[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol

C12H11BrN2O2 — CID 113387912

IUPAC[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
SMILESCc1ccc(Oc2ncc(CO)cn2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-8-2-3-11(10(13)4-8)17-12-14-5-9(7-16)6-15-12/h2-6,16H,7H2,1H3
InChIKeyNAGHRUAQFPNRSC-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.83
Rot. Bonds3

About [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol

[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol (PubChem CID 113387912) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
PubChem CID113387912
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name[2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol
SMILESCc1ccc(Oc2ncc(CO)cn2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-8-2-3-11(10(13)4-8)17-12-14-5-9(7-16)6-15-12/h2-6,16H,7H2,1H3
InChIKeyNAGHRUAQFPNRSC-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-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[6-(2-bromo-4-methylphenoxy)pyrazin-2-yl]methanol
CID 66467768
[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol
CID 113387908
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629216
2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine
CID 104708629
3-[5-(hydroxymethyl)pyrimidin-2-yl]oxy-4-methylbenzonitrile
CID 107659015
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80693554
6-(2-bromo-4-methylphenoxy)hexan-1-ol
CID 103801841
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol (CID 113387912) is [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol is Cc1ccc(Oc2ncc(CO)cn2)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol?
The InChIKey is NAGHRUAQFPNRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-2-3-11(10(13)4-8)17-12-14-5-9(7-16)6-15-12/h2-6,16H,7H2,1H3.
What are the key properties of [2-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol?
[2-(2-bromo-4-methylphenoxy)pyrimidin-5-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-(2-bromo-4-methylphenoxy)pyrimidin-5-yl]methanol is sourced from PubChem (CID 113387912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).