4,5,6-trifluoro-2-methylpyrimidine

C5H3F3N2 — CID 58058035

IUPAC4,5,6-trifluoro-2-methylpyrimidine
SMILESCc1nc(F)c(F)c(F)n1
InChIInChI=1S/C5H3F3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3
InChIKeyZQGNQDAYNFSDGF-UHFFFAOYSA-N
MW148.09 g/mol
LogP1.20
Rot. Bonds

About 4,5,6-trifluoro-2-methylpyrimidine

4,5,6-trifluoro-2-methylpyrimidine (PubChem CID 58058035) has the molecular formula C5H3F3N2 and a molecular weight of 148.09 g/mol. Its IUPAC name is 4,5,6-trifluoro-2-methylpyrimidine.

Molecular Properties

Compound Name4,5,6-trifluoro-2-methylpyrimidine
PubChem CID58058035
Molecular FormulaC5H3F3N2
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name4,5,6-trifluoro-2-methylpyrimidine
SMILESCc1nc(F)c(F)c(F)n1
InChIInChI=1S/C5H3F3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3
InChIKeyZQGNQDAYNFSDGF-UHFFFAOYSA-N
XLogP1.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-2-methylpyrimidine?
The IUPAC name of 4,5,6-trifluoro-2-methylpyrimidine (CID 58058035) is 4,5,6-trifluoro-2-methylpyrimidine.
What is the SMILES notation for 4,5,6-trifluoro-2-methylpyrimidine?
The canonical SMILES for 4,5,6-trifluoro-2-methylpyrimidine is Cc1nc(F)c(F)c(F)n1.
What is the InChIKey of 4,5,6-trifluoro-2-methylpyrimidine?
The InChIKey is ZQGNQDAYNFSDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3.
What are the key properties of 4,5,6-trifluoro-2-methylpyrimidine?
4,5,6-trifluoro-2-methylpyrimidine has a molecular weight of 148.09 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-2-methylpyrimidine is sourced from PubChem (CID 58058035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).