2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine

C9H11BrIN3 — CID 116649552

IUPAC2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine
SMILESBrCC1CCCN1c1ncc(I)cn1
InChIInChI=1S/C9H11BrIN3/c10-4-8-2-1-3-14(8)9-12-5-7(11)6-13-9/h5-6,8H,1-4H2
InChIKeyYHZAFTWKOMYXSO-UHFFFAOYSA-N
MW368.02 g/mol
LogP2.44
Rot. Bonds2

About 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine

2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine (PubChem CID 116649552) has the molecular formula C9H11BrIN3 and a molecular weight of 368.02 g/mol. Its IUPAC name is 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine.

Molecular Properties

Compound Name2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine
PubChem CID116649552
Molecular FormulaC9H11BrIN3
Molecular Weight368.02 g/mol
Exact Mass366.92
IUPAC Name2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine
SMILESBrCC1CCCN1c1ncc(I)cn1
InChIInChI=1S/C9H11BrIN3/c10-4-8-2-1-3-14(8)9-12-5-7(11)6-13-9/h5-6,8H,1-4H2
InChIKeyYHZAFTWKOMYXSO-UHFFFAOYSA-N
XLogP2.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.02
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(2-propylpiperidin-1-yl)pyrimidine
CID 104844386
2-[1-(5-iodopyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 116648606
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027
5-bromo-2-[2-(chloromethyl)piperidin-1-yl]pyrimidine
CID 63873826
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
3-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 63873222
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
4-[2-(bromomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80667841
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
5-[2-(bromomethyl)pyrrolidin-1-yl]-1-methyltriazole
CID 130487103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine?
The IUPAC name of 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine (CID 116649552) is 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine.
What is the SMILES notation for 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine?
The canonical SMILES for 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine is BrCC1CCCN1c1ncc(I)cn1.
What is the InChIKey of 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine?
The InChIKey is YHZAFTWKOMYXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrIN3/c10-4-8-2-1-3-14(8)9-12-5-7(11)6-13-9/h5-6,8H,1-4H2.
What are the key properties of 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine?
2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine has a molecular weight of 368.02 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)pyrrolidin-1-yl]-5-iodopyrimidine is sourced from PubChem (CID 116649552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).