[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol

C12H9BrCl2N2O2 — CID 107660009

IUPAC[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2cc(Cl)c(Br)cc2Cl)ncc1CO
InChIInChI=1S/C12H9BrCl2N2O2/c1-6-7(5-18)4-16-12(17-6)19-11-3-9(14)8(13)2-10(11)15/h2-4,18H,5H2,1H3
InChIKeyAUXPFIFZISBGBE-UHFFFAOYSA-N
MW364.03 g/mol
LogP4.14
Rot. Bonds3

About [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol

[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol (PubChem CID 107660009) has the molecular formula C12H9BrCl2N2O2 and a molecular weight of 364.03 g/mol. Its IUPAC name is [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
PubChem CID107660009
Molecular FormulaC12H9BrCl2N2O2
Molecular Weight364.03 g/mol
Exact Mass361.92
IUPAC Name[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Oc2cc(Cl)c(Br)cc2Cl)ncc1CO
InChIInChI=1S/C12H9BrCl2N2O2/c1-6-7(5-18)4-16-12(17-6)19-11-3-9(14)8(13)2-10(11)15/h2-4,18H,5H2,1H3
InChIKeyAUXPFIFZISBGBE-UHFFFAOYSA-N
XLogP4.14
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 107660821
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 107656699
[2-(2,3-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184383
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
[2-(6-bromonaphthalen-2-yl)oxy-4-methylpyrimidin-5-yl]methanol
CID 83179440
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
CID 107659046
[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 107659076
1-[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83188917
[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methanol
CID 83184999
(4-methyl-2-quinolin-5-yloxypyrimidin-5-yl)methanol
CID 103045423

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol (CID 107660009) is [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol is Cc1nc(Oc2cc(Cl)c(Br)cc2Cl)ncc1CO.
What is the InChIKey of [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is AUXPFIFZISBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2/c1-6-7(5-18)4-16-12(17-6)19-11-3-9(14)8(13)2-10(11)15/h2-4,18H,5H2,1H3.
What are the key properties of [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol?
[2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 364.03 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 107660009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).