4-(bromomethyl)-2-tert-butylpyrimidine

C9H13BrN2 — CID 126973454

IUPAC4-(bromomethyl)-2-tert-butylpyrimidine
SMILESCC(C)(C)c1nccc(CBr)n1
InChIInChI=1S/C9H13BrN2/c1-9(2,3)8-11-5-4-7(6-10)12-8/h4-5H,6H2,1-3H3
InChIKeyFOKCNBWVFKBJAO-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.67
Rot. Bonds1

About 4-(bromomethyl)-2-tert-butylpyrimidine

4-(bromomethyl)-2-tert-butylpyrimidine (PubChem CID 126973454) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 4-(bromomethyl)-2-tert-butylpyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)-2-tert-butylpyrimidine
PubChem CID126973454
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name4-(bromomethyl)-2-tert-butylpyrimidine
SMILESCC(C)(C)c1nccc(CBr)n1
InChIInChI=1S/C9H13BrN2/c1-9(2,3)8-11-5-4-7(6-10)12-8/h4-5H,6H2,1-3H3
InChIKeyFOKCNBWVFKBJAO-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-tert-butylpyrimidin-4-yl)propan-2-amine
CID 62744339
4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine
CID 130483383
[2-(2-methylsulfanylpropan-2-yl)pyrimidin-4-yl]methanamine
CID 130757978
1-(2-tert-butylpyrimidin-4-yl)propan-1-one
CID 89014145
2-tert-butyl-4-cyclopropylpyrimidine
CID 58088107
2-tert-butyl-4-[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 133333986
methyl 3-[4-(bromomethyl)pyrimidin-2-yl]oxy-2,2-dimethylpropanoate
CID 155658264
4-[[3-(2-tert-butylpyrimidin-4-yl)propylcarbamoylamino]methyl]benzoic acid
CID 122009669
(2-tert-butylpyrimidin-4-yl)-imino-methyl-oxo-λ6-sulfane
CID 153306316
1-[2-(2-ethoxypropan-2-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 116731058
2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
CID 167216038
4-(chloromethyl)-2-(2-ethoxybutan-2-yl)pyrimidine
CID 116779049

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-tert-butylpyrimidine?
The IUPAC name of 4-(bromomethyl)-2-tert-butylpyrimidine (CID 126973454) is 4-(bromomethyl)-2-tert-butylpyrimidine.
What is the SMILES notation for 4-(bromomethyl)-2-tert-butylpyrimidine?
The canonical SMILES for 4-(bromomethyl)-2-tert-butylpyrimidine is CC(C)(C)c1nccc(CBr)n1.
What is the InChIKey of 4-(bromomethyl)-2-tert-butylpyrimidine?
The InChIKey is FOKCNBWVFKBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-9(2,3)8-11-5-4-7(6-10)12-8/h4-5H,6H2,1-3H3.
What are the key properties of 4-(bromomethyl)-2-tert-butylpyrimidine?
4-(bromomethyl)-2-tert-butylpyrimidine has a molecular weight of 229.12 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-tert-butylpyrimidine is sourced from PubChem (CID 126973454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).