4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine

C11H17FN2 — CID 58252353

IUPAC4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine
SMILESCCc1nc(C(C)C)nc(CC)c1F
InChIInChI=1S/C11H17FN2/c1-5-8-10(12)9(6-2)14-11(13-8)7(3)4/h7H,5-6H2,1-4H3
InChIKeyRCFPZTWQOXJWEZ-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.86
Rot. Bonds3

About 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine

4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine (PubChem CID 58252353) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine
PubChem CID58252353
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine
SMILESCCc1nc(C(C)C)nc(CC)c1F
InChIInChI=1S/C11H17FN2/c1-5-8-10(12)9(6-2)14-11(13-8)7(3)4/h7H,5-6H2,1-4H3
InChIKeyRCFPZTWQOXJWEZ-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine?
The IUPAC name of 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine (CID 58252353) is 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine is CCc1nc(C(C)C)nc(CC)c1F.
What is the InChIKey of 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine?
The InChIKey is RCFPZTWQOXJWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-5-8-10(12)9(6-2)14-11(13-8)7(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine?
4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine has a molecular weight of 196.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-5-fluoro-2-propan-2-ylpyrimidine is sourced from PubChem (CID 58252353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).