5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine

C12H11BrN2O2 — CID 107086798

IUPAC5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncc(CBr)cn2)c1
InChIInChI=1S/C12H11BrN2O2/c1-16-10-3-2-4-11(5-10)17-12-14-7-9(6-13)8-15-12/h2-5,7-8H,6H2,1H3
InChIKeyQAQRVTGAEMQNNM-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.17
Rot. Bonds4

About 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine

5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine (PubChem CID 107086798) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
PubChem CID107086798
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
SMILESCOc1cccc(Oc2ncc(CBr)cn2)c1
InChIInChI=1S/C12H11BrN2O2/c1-16-10-3-2-4-11(5-10)17-12-14-7-9(6-13)8-15-12/h2-5,7-8H,6H2,1H3
InChIKeyQAQRVTGAEMQNNM-UHFFFAOYSA-N
XLogP3.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.17
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

5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141
5-(bromomethyl)-2-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 107088241
2-(1,3-benzodioxol-5-yloxy)-5-(bromomethyl)pyrimidine
CID 107086399
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
5-iodo-2-[3-(methoxymethyl)phenoxy]pyrimidine
CID 104843800
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
CID 172849383
CID 172849383
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732
5-(chloromethyl)-2-(3-propan-2-ylphenoxy)pyrimidine
CID 113387977

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine (CID 107086798) is 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine is COc1cccc(Oc2ncc(CBr)cn2)c1.
What is the InChIKey of 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine?
The InChIKey is QAQRVTGAEMQNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-16-10-3-2-4-11(5-10)17-12-14-7-9(6-13)8-15-12/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine?
5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine has a molecular weight of 295.14 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 107086798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).