5-fluoro-4,6-dimethoxypyrimidine

C6H7FN2O2 — CID 21345736

IUPAC5-fluoro-4,6-dimethoxypyrimidine
SMILESCOc1ncnc(OC)c1F
InChIInChI=1S/C6H7FN2O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,1-2H3
InChIKeyGCWRCJBNEZWWND-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.63
Rot. Bonds2

About 5-fluoro-4,6-dimethoxypyrimidine

5-fluoro-4,6-dimethoxypyrimidine (PubChem CID 21345736) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 5-fluoro-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name5-fluoro-4,6-dimethoxypyrimidine
PubChem CID21345736
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name5-fluoro-4,6-dimethoxypyrimidine
SMILESCOc1ncnc(OC)c1F
InChIInChI=1S/C6H7FN2O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,1-2H3
InChIKeyGCWRCJBNEZWWND-UHFFFAOYSA-N
XLogP0.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-4,6-dimethoxypyrimidine 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 5-fluoro-4,6-dimethoxypyrimidine?
The IUPAC name of 5-fluoro-4,6-dimethoxypyrimidine (CID 21345736) is 5-fluoro-4,6-dimethoxypyrimidine.
What is the SMILES notation for 5-fluoro-4,6-dimethoxypyrimidine?
The canonical SMILES for 5-fluoro-4,6-dimethoxypyrimidine is COc1ncnc(OC)c1F.
What is the InChIKey of 5-fluoro-4,6-dimethoxypyrimidine?
The InChIKey is GCWRCJBNEZWWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,1-2H3.
What are the key properties of 5-fluoro-4,6-dimethoxypyrimidine?
5-fluoro-4,6-dimethoxypyrimidine has a molecular weight of 158.13 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,6-dimethoxypyrimidine is sourced from PubChem (CID 21345736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).