2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine

C13H13BrN2O2 — CID 62699007

IUPAC2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
SMILESCOc1cc(CBr)ccc1OCc1ncccn1
InChIInChI=1S/C13H13BrN2O2/c1-17-12-7-10(8-14)3-4-11(12)18-9-13-15-5-2-6-16-13/h2-7H,8-9H2,1H3
InChIKeyGIPHHHMTGPYWHU-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.96
Rot. Bonds5

About 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine

2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine (PubChem CID 62699007) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
PubChem CID62699007
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
SMILESCOc1cc(CBr)ccc1OCc1ncccn1
InChIInChI=1S/C13H13BrN2O2/c1-17-12-7-10(8-14)3-4-11(12)18-9-13-15-5-2-6-16-13/h2-7H,8-9H2,1H3
InChIKeyGIPHHHMTGPYWHU-UHFFFAOYSA-N
XLogP2.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine
CID 62700324
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
4-(bromomethyl)-1-[(4-bromophenyl)methoxy]-2-methoxybenzene
CID 43141748
5-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044049
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
4-(bromomethyl)-1-(2-fluoroethoxy)-2-methoxybenzene
CID 80694773
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine (CID 62699007) is 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine is COc1cc(CBr)ccc1OCc1ncccn1.
What is the InChIKey of 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine?
The InChIKey is GIPHHHMTGPYWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-17-12-7-10(8-14)3-4-11(12)18-9-13-15-5-2-6-16-13/h2-7H,8-9H2,1H3.
What are the key properties of 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine?
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine has a molecular weight of 309.16 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine is sourced from PubChem (CID 62699007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).