2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine

C11H16BrN3 — CID 114800840

IUPAC2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCC(CCBr)C2)nc1
InChIInChI=1S/C11H16BrN3/c1-9-6-13-11(14-7-9)15-5-3-10(8-15)2-4-12/h6-7,10H,2-5,8H2,1H3
InChIKeyTVBXEEZFQAMNMP-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.40
Rot. Bonds3

About 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine

2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine (PubChem CID 114800840) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
PubChem CID114800840
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCC(CCBr)C2)nc1
InChIInChI=1S/C11H16BrN3/c1-9-6-13-11(14-7-9)15-5-3-10(8-15)2-4-12/h6-7,10H,2-5,8H2,1H3
InChIKeyTVBXEEZFQAMNMP-UHFFFAOYSA-N
XLogP2.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 114800719
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine (CID 114800840) is 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCC(CCBr)C2)nc1.
What is the InChIKey of 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine?
The InChIKey is TVBXEEZFQAMNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-9-6-13-11(14-7-9)15-5-3-10(8-15)2-4-12/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine?
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine has a molecular weight of 270.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 114800840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).