2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine

C14H15BrN2O3 — CID 62700324

IUPAC2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine
SMILESCOc1cc(CBr)cc(OC)c1OCc1ncccn1
InChIInChI=1S/C14H15BrN2O3/c1-18-11-6-10(8-15)7-12(19-2)14(11)20-9-13-16-4-3-5-17-13/h3-7H,8-9H2,1-2H3
InChIKeyVDRDMCSORFRARG-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.97
Rot. Bonds6

About 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine

2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine (PubChem CID 62700324) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine
PubChem CID62700324
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine
SMILESCOc1cc(CBr)cc(OC)c1OCc1ncccn1
InChIInChI=1S/C14H15BrN2O3/c1-18-11-6-10(8-15)7-12(19-2)14(11)20-9-13-16-4-3-5-17-13/h3-7H,8-9H2,1-2H3
InChIKeyVDRDMCSORFRARG-UHFFFAOYSA-N
XLogP2.97
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
5-(bromomethyl)-2-ethoxy-1,3-dimethoxybenzene
CID 43516810
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
5-(bromomethyl)-1,3-dimethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43516816
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
5-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]-2-methyltetrazole
CID 107044085
5-(bromomethyl)-1-chloro-2-[(2-chlorophenyl)methoxy]-3-methoxybenzene
CID 43324504
[4-methoxy-3-(pyrimidin-2-ylmethoxy)phenyl]methanol
CID 62700689
4-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]-1-ethylpyrazole
CID 62125862
2-[4-(bromomethyl)-2,6-dimethoxyphenoxy]acetonitrile
CID 43516832

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine (CID 62700324) is 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine is COc1cc(CBr)cc(OC)c1OCc1ncccn1.
What is the InChIKey of 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine?
The InChIKey is VDRDMCSORFRARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-18-11-6-10(8-15)7-12(19-2)14(11)20-9-13-16-4-3-5-17-13/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine?
2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine has a molecular weight of 339.19 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(bromomethyl)-2,6-dimethoxyphenoxy]methyl]pyrimidine is sourced from PubChem (CID 62700324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).