2-(fluoromethyl)-4,5,6-trimethylpyrimidine

C8H11FN2 — CID 90360406

IUPAC2-(fluoromethyl)-4,5,6-trimethylpyrimidine
SMILESCc1nc(CF)nc(C)c1C
InChIInChI=1S/C8H11FN2/c1-5-6(2)10-8(4-9)11-7(5)3/h4H2,1-3H3
InChIKeyBCHOSJGNKDHNMI-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.87
Rot. Bonds1

About 2-(fluoromethyl)-4,5,6-trimethylpyrimidine

2-(fluoromethyl)-4,5,6-trimethylpyrimidine (PubChem CID 90360406) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-(fluoromethyl)-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-(fluoromethyl)-4,5,6-trimethylpyrimidine
PubChem CID90360406
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-(fluoromethyl)-4,5,6-trimethylpyrimidine
SMILESCc1nc(CF)nc(C)c1C
InChIInChI=1S/C8H11FN2/c1-5-6(2)10-8(4-9)11-7(5)3/h4H2,1-3H3
InChIKeyBCHOSJGNKDHNMI-UHFFFAOYSA-N
XLogP1.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-(fluoromethyl)-4,5,6-trimethylpyrimidine (CID 90360406) is 2-(fluoromethyl)-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-(fluoromethyl)-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-(fluoromethyl)-4,5,6-trimethylpyrimidine is Cc1nc(CF)nc(C)c1C.
What is the InChIKey of 2-(fluoromethyl)-4,5,6-trimethylpyrimidine?
The InChIKey is BCHOSJGNKDHNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-5-6(2)10-8(4-9)11-7(5)3/h4H2,1-3H3.
What are the key properties of 2-(fluoromethyl)-4,5,6-trimethylpyrimidine?
2-(fluoromethyl)-4,5,6-trimethylpyrimidine has a molecular weight of 154.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 90360406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).