4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine

C9H9BrN4 — CID 130483383

IUPAC4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine
SMILESCn1ccnc1-c1nccc(CBr)n1
InChIInChI=1S/C9H9BrN4/c1-14-5-4-12-9(14)8-11-3-2-7(6-10)13-8/h2-5H,6H2,1H3
InChIKeyRCYMTOWXDRUMKO-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.77
Rot. Bonds2

About 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine

4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine (PubChem CID 130483383) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine
PubChem CID130483383
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine
SMILESCn1ccnc1-c1nccc(CBr)n1
InChIInChI=1S/C9H9BrN4/c1-14-5-4-12-9(14)8-11-3-2-7(6-10)13-8/h2-5H,6H2,1H3
InChIKeyRCYMTOWXDRUMKO-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine?
The IUPAC name of 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine (CID 130483383) is 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine.
What is the SMILES notation for 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine?
The canonical SMILES for 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine is Cn1ccnc1-c1nccc(CBr)n1.
What is the InChIKey of 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine?
The InChIKey is RCYMTOWXDRUMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-14-5-4-12-9(14)8-11-3-2-7(6-10)13-8/h2-5H,6H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine?
4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine has a molecular weight of 253.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine is sourced from PubChem (CID 130483383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).