5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine

C10H13Br2N3 — CID 130534027

IUPAC5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
SMILESBrCCC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C10H13Br2N3/c11-4-3-9-2-1-5-15(9)10-13-6-8(12)7-14-10/h6-7,9H,1-5H2
InChIKeyVFWANRNBCJFRMU-UHFFFAOYSA-N
MW335.04 g/mol
LogP2.99
Rot. Bonds3

About 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine

5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 130534027) has the molecular formula C10H13Br2N3 and a molecular weight of 335.04 g/mol. Its IUPAC name is 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID130534027
Molecular FormulaC10H13Br2N3
Molecular Weight335.04 g/mol
Exact Mass332.95
IUPAC Name5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
SMILESBrCCC1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C10H13Br2N3/c11-4-3-9-2-1-5-15(9)10-13-6-8(12)7-14-10/h6-7,9H,1-5H2
InChIKeyVFWANRNBCJFRMU-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine
CID 116649552
2-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-2-yl]ethanol
CID 116976703
3-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63761067
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
CID 63390154
5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386
2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 116648606
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine (CID 130534027) is 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine is BrCCC1CCCN1c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is VFWANRNBCJFRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3/c11-4-3-9-2-1-5-15(9)10-13-6-8(12)7-14-10/h6-7,9H,1-5H2.
What are the key properties of 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine?
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 335.04 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 130534027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).