5-(3-bromoprop-1-enyl)-2-methylpyrimidine

C8H9BrN2 — CID 169474962

IUPAC5-(3-bromoprop-1-enyl)-2-methylpyrimidine
SMILESCc1ncc(C=CCBr)cn1
InChIInChI=1S/C8H9BrN2/c1-7-10-5-8(6-11-7)3-2-4-9/h2-3,5-6H,4H2,1H3
InChIKeyIKJXHKAGEGRROU-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.19
Rot. Bonds2

About 5-(3-bromoprop-1-enyl)-2-methylpyrimidine

5-(3-bromoprop-1-enyl)-2-methylpyrimidine (PubChem CID 169474962) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-(3-bromoprop-1-enyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(3-bromoprop-1-enyl)-2-methylpyrimidine
PubChem CID169474962
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-(3-bromoprop-1-enyl)-2-methylpyrimidine
SMILESCc1ncc(C=CCBr)cn1
InChIInChI=1S/C8H9BrN2/c1-7-10-5-8(6-11-7)3-2-4-9/h2-3,5-6H,4H2,1H3
InChIKeyIKJXHKAGEGRROU-UHFFFAOYSA-N
XLogP2.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromoprop-1-enyl)-2-fluoropyridine
CID 169474982
methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate
CID 170500325
2-bromo-5-(3-bromoprop-1-enyl)pyridine
CID 169476448
4-[(E)-3-bromoprop-1-enyl]-2-methylpyrimidine
CID 115530171
2-(3-bromoprop-1-enyl)-5-chloro-3-methylpyridine
CID 169475189
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 169476628
5-(3-bromoprop-1-enyl)pyridin-3-ol
CID 169475014
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
5-(2-bromoethyl)-2-methylpyrimidine
CID 66911720
5-(4-bromobut-1-enyl)-2-methylpyridine
CID 79603355
4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole
CID 169476507

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoprop-1-enyl)-2-methylpyrimidine?
The IUPAC name of 5-(3-bromoprop-1-enyl)-2-methylpyrimidine (CID 169474962) is 5-(3-bromoprop-1-enyl)-2-methylpyrimidine.
What is the SMILES notation for 5-(3-bromoprop-1-enyl)-2-methylpyrimidine?
The canonical SMILES for 5-(3-bromoprop-1-enyl)-2-methylpyrimidine is Cc1ncc(C=CCBr)cn1.
What is the InChIKey of 5-(3-bromoprop-1-enyl)-2-methylpyrimidine?
The InChIKey is IKJXHKAGEGRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-7-10-5-8(6-11-7)3-2-4-9/h2-3,5-6H,4H2,1H3.
What are the key properties of 5-(3-bromoprop-1-enyl)-2-methylpyrimidine?
5-(3-bromoprop-1-enyl)-2-methylpyrimidine has a molecular weight of 213.08 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoprop-1-enyl)-2-methylpyrimidine is sourced from PubChem (CID 169474962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).