5-(fluoromethyl)-2-propan-2-ylpyrimidine

C8H11FN2 — CID 121401170

IUPAC5-(fluoromethyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(CF)cn1
InChIInChI=1S/C8H11FN2/c1-6(2)8-10-4-7(3-9)5-11-8/h4-6H,3H2,1-2H3
InChIKeyZEMKKKLVAKIURI-UHFFFAOYSA-N
MW154.19 g/mol
LogP2.07
Rot. Bonds2

About 5-(fluoromethyl)-2-propan-2-ylpyrimidine

5-(fluoromethyl)-2-propan-2-ylpyrimidine (PubChem CID 121401170) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-(fluoromethyl)-2-propan-2-ylpyrimidine
PubChem CID121401170
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name5-(fluoromethyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(CF)cn1
InChIInChI=1S/C8H11FN2/c1-6(2)8-10-4-7(3-9)5-11-8/h4-6H,3H2,1-2H3
InChIKeyZEMKKKLVAKIURI-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 5-(fluoromethyl)-2-propan-2-ylpyrimidine (CID 121401170) is 5-(fluoromethyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-(fluoromethyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-(fluoromethyl)-2-propan-2-ylpyrimidine is CC(C)c1ncc(CF)cn1.
What is the InChIKey of 5-(fluoromethyl)-2-propan-2-ylpyrimidine?
The InChIKey is ZEMKKKLVAKIURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6(2)8-10-4-7(3-9)5-11-8/h4-6H,3H2,1-2H3.
What are the key properties of 5-(fluoromethyl)-2-propan-2-ylpyrimidine?
5-(fluoromethyl)-2-propan-2-ylpyrimidine has a molecular weight of 154.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 121401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).