2-bromo-5-(fluoromethyl)-4-methylpyrimidine

C6H6BrFN2 — CID 105456948

IUPAC2-bromo-5-(fluoromethyl)-4-methylpyrimidine
SMILESCc1nc(Br)ncc1CF
InChIInChI=1S/C6H6BrFN2/c1-4-5(2-8)3-9-6(7)10-4/h3H,2H2,1H3
InChIKeyLVKKLAQZIYDJTF-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.02
Rot. Bonds1

About 2-bromo-5-(fluoromethyl)-4-methylpyrimidine

2-bromo-5-(fluoromethyl)-4-methylpyrimidine (PubChem CID 105456948) has the molecular formula C6H6BrFN2 and a molecular weight of 205.03 g/mol. Its IUPAC name is 2-bromo-5-(fluoromethyl)-4-methylpyrimidine.

Molecular Properties

Compound Name2-bromo-5-(fluoromethyl)-4-methylpyrimidine
PubChem CID105456948
Molecular FormulaC6H6BrFN2
Molecular Weight205.03 g/mol
Exact Mass203.97
IUPAC Name2-bromo-5-(fluoromethyl)-4-methylpyrimidine
SMILESCc1nc(Br)ncc1CF
InChIInChI=1S/C6H6BrFN2/c1-4-5(2-8)3-9-6(7)10-4/h3H,2H2,1H3
InChIKeyLVKKLAQZIYDJTF-UHFFFAOYSA-N
XLogP2.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-(fluoromethyl)-2-nitropyridine
CID 118811714
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
2,4,5-tris(fluoromethyl)pyrimidine
CID 172695350
2-[5-(fluoromethyl)-3-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095951
2-(5-bromo-2-methyl-3-pyridinyl)acetonitrile
CID 130153910
5-(methoxymethyl)-2,4-dimethylpyrimidine
CID 54133369
2-(fluoromethyl)-4-methylpyrimidin-5-amine
CID 105428194
3-(fluoromethyl)-5-methylpyridin-2-amine
CID 135298839
1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one
CID 83840150
3-bromo-2,8-dimethylimidazo[1,2-a]pyrazine
CID 153124401
2-bromo-5-methylpyrimidine-4-carboxylic acid
CID 151168996
[2-(3,5-dibromo-2-pyridinyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205944

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(fluoromethyl)-4-methylpyrimidine?
The IUPAC name of 2-bromo-5-(fluoromethyl)-4-methylpyrimidine (CID 105456948) is 2-bromo-5-(fluoromethyl)-4-methylpyrimidine.
What is the SMILES notation for 2-bromo-5-(fluoromethyl)-4-methylpyrimidine?
The canonical SMILES for 2-bromo-5-(fluoromethyl)-4-methylpyrimidine is Cc1nc(Br)ncc1CF.
What is the InChIKey of 2-bromo-5-(fluoromethyl)-4-methylpyrimidine?
The InChIKey is LVKKLAQZIYDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2/c1-4-5(2-8)3-9-6(7)10-4/h3H,2H2,1H3.
What are the key properties of 2-bromo-5-(fluoromethyl)-4-methylpyrimidine?
2-bromo-5-(fluoromethyl)-4-methylpyrimidine has a molecular weight of 205.03 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(fluoromethyl)-4-methylpyrimidine is sourced from PubChem (CID 105456948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).