2-(3-bromopentan-2-yl)-4-methylpyrimidine

C10H15BrN2 — CID 63561044

IUPAC2-(3-bromopentan-2-yl)-4-methylpyrimidine
SMILESCCC(Br)C(C)c1nccc(C)n1
InChIInChI=1S/C10H15BrN2/c1-4-9(11)8(3)10-12-6-5-7(2)13-10/h5-6,8-9H,4H2,1-3H3
InChIKeyCMPOYEIVFNTKKQ-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-bromopentan-2-yl)-4-methylpyrimidine

2-(3-bromopentan-2-yl)-4-methylpyrimidine (PubChem CID 63561044) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-(3-bromopentan-2-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(3-bromopentan-2-yl)-4-methylpyrimidine
PubChem CID63561044
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-(3-bromopentan-2-yl)-4-methylpyrimidine
SMILESCCC(Br)C(C)c1nccc(C)n1
InChIInChI=1S/C10H15BrN2/c1-4-9(11)8(3)10-12-6-5-7(2)13-10/h5-6,8-9H,4H2,1-3H3
InChIKeyCMPOYEIVFNTKKQ-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.06
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 2-(3-bromopentan-2-yl)-4-methylpyrimidine?
The IUPAC name of 2-(3-bromopentan-2-yl)-4-methylpyrimidine (CID 63561044) is 2-(3-bromopentan-2-yl)-4-methylpyrimidine.
What is the SMILES notation for 2-(3-bromopentan-2-yl)-4-methylpyrimidine?
The canonical SMILES for 2-(3-bromopentan-2-yl)-4-methylpyrimidine is CCC(Br)C(C)c1nccc(C)n1.
What is the InChIKey of 2-(3-bromopentan-2-yl)-4-methylpyrimidine?
The InChIKey is CMPOYEIVFNTKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-4-9(11)8(3)10-12-6-5-7(2)13-10/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 2-(3-bromopentan-2-yl)-4-methylpyrimidine?
2-(3-bromopentan-2-yl)-4-methylpyrimidine has a molecular weight of 243.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopentan-2-yl)-4-methylpyrimidine is sourced from PubChem (CID 63561044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).