4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine

C13H21BrN2 — CID 63203818

IUPAC4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine
SMILESCCC(c1cc(C)nc(C(C)C)n1)C(C)Br
InChIInChI=1S/C13H21BrN2/c1-6-11(10(5)14)12-7-9(4)15-13(16-12)8(2)3/h7-8,10-11H,6H2,1-5H3
InChIKeyZFRYWMGDRQVXLS-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.19
Rot. Bonds4

About 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine

4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine (PubChem CID 63203818) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine
PubChem CID63203818
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine
SMILESCCC(c1cc(C)nc(C(C)C)n1)C(C)Br
InChIInChI=1S/C13H21BrN2/c1-6-11(10(5)14)12-7-9(4)15-13(16-12)8(2)3/h7-8,10-11H,6H2,1-5H3
InChIKeyZFRYWMGDRQVXLS-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine (CID 63203818) is 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine is CCC(c1cc(C)nc(C(C)C)n1)C(C)Br.
What is the InChIKey of 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine?
The InChIKey is ZFRYWMGDRQVXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-6-11(10(5)14)12-7-9(4)15-13(16-12)8(2)3/h7-8,10-11H,6H2,1-5H3.
What are the key properties of 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine?
4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine has a molecular weight of 285.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopentan-3-yl)-6-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 63203818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).