methyl 5-fluoro-6-methylpyrimidine-4-carboxylate

C7H7FN2O2 — CID 59802530

IUPACmethyl 5-fluoro-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1ncnc(C)c1F
InChIInChI=1S/C7H7FN2O2/c1-4-5(8)6(7(11)12-2)10-3-9-4/h3H,1-2H3
InChIKeyLTWSHFQIAADBNH-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.71
Rot. Bonds1

About methyl 5-fluoro-6-methylpyrimidine-4-carboxylate

methyl 5-fluoro-6-methylpyrimidine-4-carboxylate (PubChem CID 59802530) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is methyl 5-fluoro-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-methylpyrimidine-4-carboxylate
PubChem CID59802530
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Namemethyl 5-fluoro-6-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1ncnc(C)c1F
InChIInChI=1S/C7H7FN2O2/c1-4-5(8)6(7(11)12-2)10-3-9-4/h3H,1-2H3
InChIKeyLTWSHFQIAADBNH-UHFFFAOYSA-N
XLogP0.71
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-fluoro-6-methylpyrimidine-4-carboxylate 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 methyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 5-fluoro-6-methylpyrimidine-4-carboxylate (CID 59802530) is methyl 5-fluoro-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-methylpyrimidine-4-carboxylate is COC(=O)c1ncnc(C)c1F.
What is the InChIKey of methyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
The InChIKey is LTWSHFQIAADBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-4-5(8)6(7(11)12-2)10-3-9-4/h3H,1-2H3.
What are the key properties of methyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
methyl 5-fluoro-6-methylpyrimidine-4-carboxylate has a molecular weight of 170.14 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 59802530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).