5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine

C9H13BrN2O2 — CID 63867544

IUPAC5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine
SMILESCC(C)OCCOc1ncc(Br)cn1
InChIInChI=1S/C9H13BrN2O2/c1-7(2)13-3-4-14-9-11-5-8(10)6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyGOZVZQSJZZRKSH-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.04
Rot. Bonds5

About 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine

5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine (PubChem CID 63867544) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine
PubChem CID63867544
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine
SMILESCC(C)OCCOc1ncc(Br)cn1
InChIInChI=1S/C9H13BrN2O2/c1-7(2)13-3-4-14-9-11-5-8(10)6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyGOZVZQSJZZRKSH-UHFFFAOYSA-N
XLogP2.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 69073848
2-(5-bromopyrimidin-2-yl)oxyethanamine
CID 63871925
N-[[5-bromo-2-(2-propan-2-yloxyethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290354
N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
CID 83189501
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
4-methyl-6-(2-propan-2-yloxyethoxy)pyridin-3-amine
CID 79176546
5-bromo-2-butan-2-ylpyrimidine
CID 130120212
[3-bromo-5-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 102814524
5-bromo-3-methyl-2-(2-propan-2-yloxyethoxy)aniline
CID 79843008
5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine
CID 103489533
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
CID 62859308
1-(5-bromopyrimidin-2-yl)oxy-N,N,2-trimethylpropan-2-amine
CID 79679212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine?
The IUPAC name of 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine (CID 63867544) is 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine is CC(C)OCCOc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine?
The InChIKey is GOZVZQSJZZRKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-7(2)13-3-4-14-9-11-5-8(10)6-12-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine?
5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine has a molecular weight of 261.12 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine is sourced from PubChem (CID 63867544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).