2-ethyl-5-fluoro-4-propan-2-ylpyrimidine

C9H13FN2 — CID 129075468

IUPAC2-ethyl-5-fluoro-4-propan-2-ylpyrimidine
SMILESCCc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C9H13FN2/c1-4-8-11-5-7(10)9(12-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyXLLOUUQIUKGGSJ-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.30
Rot. Bonds2

About 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine

2-ethyl-5-fluoro-4-propan-2-ylpyrimidine (PubChem CID 129075468) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-ethyl-5-fluoro-4-propan-2-ylpyrimidine
PubChem CID129075468
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name2-ethyl-5-fluoro-4-propan-2-ylpyrimidine
SMILESCCc1ncc(F)c(C(C)C)n1
InChIInChI=1S/C9H13FN2/c1-4-8-11-5-7(10)9(12-8)6(2)3/h5-6H,4H2,1-3H3
InChIKeyXLLOUUQIUKGGSJ-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine?
The IUPAC name of 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine (CID 129075468) is 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine is CCc1ncc(F)c(C(C)C)n1.
What is the InChIKey of 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine?
The InChIKey is XLLOUUQIUKGGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c1-4-8-11-5-7(10)9(12-8)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine?
2-ethyl-5-fluoro-4-propan-2-ylpyrimidine has a molecular weight of 168.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-4-propan-2-ylpyrimidine is sourced from PubChem (CID 129075468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).