5-bromo-4-prop-2-enylpyrimidine

C7H7BrN2 — CID 119085370

IUPAC5-bromo-4-prop-2-enylpyrimidine
SMILESC=CCc1ncncc1Br
InChIInChI=1S/C7H7BrN2/c1-2-3-7-6(8)4-9-5-10-7/h2,4-5H,1,3H2
InChIKeyRENRRVKQKLCDOM-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-4-prop-2-enylpyrimidine

5-bromo-4-prop-2-enylpyrimidine (PubChem CID 119085370) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 5-bromo-4-prop-2-enylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-prop-2-enylpyrimidine
PubChem CID119085370
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name5-bromo-4-prop-2-enylpyrimidine
SMILESC=CCc1ncncc1Br
InChIInChI=1S/C7H7BrN2/c1-2-3-7-6(8)4-9-5-10-7/h2,4-5H,1,3H2
InChIKeyRENRRVKQKLCDOM-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-but-3-enylpyrimidine
CID 71303684
5-bromo-4-(fluoromethyl)pyrimidine
CID 105444628
5-bromo-4-(2-chloropropyl)pyrimidine
CID 66320721
3-(5-bromopyrimidin-4-yl)-2-methylpropan-1-amine
CID 83894050
1-(5-bromopyrimidin-4-yl)-3,3-dimethylbutan-2-one
CID 66320015
1-(5-bromopyrimidin-4-yl)-N-ethyl-3-methylbutan-2-amine
CID 66320710
2-[(5-bromopyrimidin-4-yl)-prop-2-enylamino]ethanol
CID 115715080
3-bromo-5-prop-2-enylpyridine
CID 11321547
7-prop-2-enylquinazolin-8-ol
CID 119093717
2,5-dimethyl-4-prop-2-enylpyrimidine
CID 143838580
5-bromopyrimidine-4-carboxylic acid
CID 21329200
4-(bromomethyl)-5-chloropyrimidine
CID 118464753

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-prop-2-enylpyrimidine?
The IUPAC name of 5-bromo-4-prop-2-enylpyrimidine (CID 119085370) is 5-bromo-4-prop-2-enylpyrimidine.
What is the SMILES notation for 5-bromo-4-prop-2-enylpyrimidine?
The canonical SMILES for 5-bromo-4-prop-2-enylpyrimidine is C=CCc1ncncc1Br.
What is the InChIKey of 5-bromo-4-prop-2-enylpyrimidine?
The InChIKey is RENRRVKQKLCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c1-2-3-7-6(8)4-9-5-10-7/h2,4-5H,1,3H2.
What are the key properties of 5-bromo-4-prop-2-enylpyrimidine?
5-bromo-4-prop-2-enylpyrimidine has a molecular weight of 199.05 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-prop-2-enylpyrimidine is sourced from PubChem (CID 119085370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).