5-fluoro-4-methyl-6-propylpyrimidine

C8H11FN2 — CID 166976417

IUPAC5-fluoro-4-methyl-6-propylpyrimidine
SMILESCCCc1ncnc(C)c1F
InChIInChI=1S/C8H11FN2/c1-3-4-7-8(9)6(2)10-5-11-7/h5H,3-4H2,1-2H3
InChIKeyYNYKEUSAFUFKQZ-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.88
Rot. Bonds2

About 5-fluoro-4-methyl-6-propylpyrimidine

5-fluoro-4-methyl-6-propylpyrimidine (PubChem CID 166976417) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 5-fluoro-4-methyl-6-propylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methyl-6-propylpyrimidine
PubChem CID166976417
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name5-fluoro-4-methyl-6-propylpyrimidine
SMILESCCCc1ncnc(C)c1F
InChIInChI=1S/C8H11FN2/c1-3-4-7-8(9)6(2)10-5-11-7/h5H,3-4H2,1-2H3
InChIKeyYNYKEUSAFUFKQZ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-6-propylpyrimidine?
The IUPAC name of 5-fluoro-4-methyl-6-propylpyrimidine (CID 166976417) is 5-fluoro-4-methyl-6-propylpyrimidine.
What is the SMILES notation for 5-fluoro-4-methyl-6-propylpyrimidine?
The canonical SMILES for 5-fluoro-4-methyl-6-propylpyrimidine is CCCc1ncnc(C)c1F.
What is the InChIKey of 5-fluoro-4-methyl-6-propylpyrimidine?
The InChIKey is YNYKEUSAFUFKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-3-4-7-8(9)6(2)10-5-11-7/h5H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-4-methyl-6-propylpyrimidine?
5-fluoro-4-methyl-6-propylpyrimidine has a molecular weight of 154.19 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-6-propylpyrimidine is sourced from PubChem (CID 166976417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).