5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine

C11H17BrN2O3 — CID 106999157

IUPAC5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine
SMILESCCCCOCCOc1ncc(Br)c(OC)n1
InChIInChI=1S/C11H17BrN2O3/c1-3-4-5-16-6-7-17-11-13-8-9(12)10(14-11)15-2/h8H,3-7H2,1-2H3
InChIKeyQMPUJFBMLJVRJX-UHFFFAOYSA-N
MW305.17 g/mol
LogP2.44
Rot. Bonds8

About 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine

5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine (PubChem CID 106999157) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine
PubChem CID106999157
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Name5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine
SMILESCCCCOCCOc1ncc(Br)c(OC)n1
InChIInChI=1S/C11H17BrN2O3/c1-3-4-5-16-6-7-17-11-13-8-9(12)10(14-11)15-2/h8H,3-7H2,1-2H3
InChIKeyQMPUJFBMLJVRJX-UHFFFAOYSA-N
XLogP2.44
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine
CID 106999391
5-bromo-4-methoxy-2-pentan-2-yloxypyrimidine
CID 106999386
N-benzyl-3-(5-bromo-4-methoxypyrimidin-2-yl)oxypropan-1-amine
CID 106999618
5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
CID 106999595
5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine
CID 106999301
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 106999581
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine
CID 176600654
5-bromo-4-(2-butoxyethoxy)pyridin-3-amine
CID 103518731
4-(5-bromo-4-methoxypyrimidin-2-yl)-N-(2-butoxyethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109459483
[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 103176581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine?
The IUPAC name of 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine (CID 106999157) is 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine.
What is the SMILES notation for 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine?
The canonical SMILES for 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine is CCCCOCCOc1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine?
The InChIKey is QMPUJFBMLJVRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-3-4-5-16-6-7-17-11-13-8-9(12)10(14-11)15-2/h8H,3-7H2,1-2H3.
What are the key properties of 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine?
5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine has a molecular weight of 305.17 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine is sourced from PubChem (CID 106999157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).