5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine

C13H14BrN3O — CID 107089413

IUPAC5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCCc1nc(C)ccc1Oc1ncc(CBr)cn1
InChIInChI=1S/C13H14BrN3O/c1-3-11-12(5-4-9(2)17-11)18-13-15-7-10(6-14)8-16-13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJJVMYFFUHYWZQU-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.43
Rot. Bonds4

About 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine

5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine (PubChem CID 107089413) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine
PubChem CID107089413
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCCc1nc(C)ccc1Oc1ncc(CBr)cn1
InChIInChI=1S/C13H14BrN3O/c1-3-11-12(5-4-9(2)17-11)18-13-15-7-10(6-14)8-16-13/h4-5,7-8H,3,6H2,1-2H3
InChIKeyJJVMYFFUHYWZQU-UHFFFAOYSA-N
XLogP3.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.43
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

3-[2-bromo-4-(bromomethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 114062657
5-(bromomethyl)-2-(4-tert-butyl-2-methylphenoxy)pyrimidine
CID 107087606
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578
5-(bromomethyl)-2-[(6-methyl-3-pyridinyl)oxy]pyrimidine
CID 107088241
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513
4-ethoxy-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 103176391
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine
CID 103174579
[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methanamine
CID 103174319
3-[(6-chloro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103174660

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine (CID 107089413) is 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine is CCc1nc(C)ccc1Oc1ncc(CBr)cn1.
What is the InChIKey of 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine?
The InChIKey is JJVMYFFUHYWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-3-11-12(5-4-9(2)17-11)18-13-15-7-10(6-14)8-16-13/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine?
5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine has a molecular weight of 308.18 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 107089413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).