5-bromo-4-(fluoromethyl)pyrimidine

C5H4BrFN2 — CID 105444628

IUPAC5-bromo-4-(fluoromethyl)pyrimidine
SMILESFCc1ncncc1Br
InChIInChI=1S/C5H4BrFN2/c6-4-2-8-3-9-5(4)1-7/h2-3H,1H2
InChIKeyZKYHIMDIMAMOBF-UHFFFAOYSA-N
MW191.00 g/mol
LogP1.71
Rot. Bonds1

About 5-bromo-4-(fluoromethyl)pyrimidine

5-bromo-4-(fluoromethyl)pyrimidine (PubChem CID 105444628) has the molecular formula C5H4BrFN2 and a molecular weight of 191.00 g/mol. Its IUPAC name is 5-bromo-4-(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(fluoromethyl)pyrimidine
PubChem CID105444628
Molecular FormulaC5H4BrFN2
Molecular Weight191.00 g/mol
Exact Mass189.95
IUPAC Name5-bromo-4-(fluoromethyl)pyrimidine
SMILESFCc1ncncc1Br
InChIInChI=1S/C5H4BrFN2/c6-4-2-8-3-9-5(4)1-7/h2-3H,1H2
InChIKeyZKYHIMDIMAMOBF-UHFFFAOYSA-N
XLogP1.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-prop-2-enylpyrimidine
CID 119085370
3-(5-bromopyrimidin-4-yl)-2-methylpropan-1-amine
CID 83894050
5-bromo-4-but-3-enylpyrimidine
CID 71303684
5-bromo-4-(2-chloropropyl)pyrimidine
CID 66320721
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
5-bromopyrimidine-4-carboxylic acid
CID 21329200
4-(bromomethyl)-5-chloropyrimidine
CID 118464753
CID 174505326
CID 174505326
5-bromo-4-(3-fluoroazetidin-1-yl)pyrimidine
CID 130742383
5-bromo-4-(cyclopropylmethoxy)pyrimidine
CID 66320949
5-bromo-4-(diethoxymethyl)pyrimidine
CID 133060355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(fluoromethyl)pyrimidine?
The IUPAC name of 5-bromo-4-(fluoromethyl)pyrimidine (CID 105444628) is 5-bromo-4-(fluoromethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(fluoromethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-(fluoromethyl)pyrimidine is FCc1ncncc1Br.
What is the InChIKey of 5-bromo-4-(fluoromethyl)pyrimidine?
The InChIKey is ZKYHIMDIMAMOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN2/c6-4-2-8-3-9-5(4)1-7/h2-3H,1H2.
What are the key properties of 5-bromo-4-(fluoromethyl)pyrimidine?
5-bromo-4-(fluoromethyl)pyrimidine has a molecular weight of 191.00 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(fluoromethyl)pyrimidine is sourced from PubChem (CID 105444628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).