5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine

C12H12FN3O2 — CID 58994242

IUPAC5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2ccc(C)nc2F)c(OC)n1
InChIInChI=1S/C12H12FN3O2/c1-7-4-5-8(10(13)15-7)9-6-14-12(18-3)16-11(9)17-2/h4-6H,1-3H3
InChIKeyBPTJRVGKAFSPJF-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.00
Rot. Bonds3

About 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine

5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine (PubChem CID 58994242) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine
PubChem CID58994242
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2ccc(C)nc2F)c(OC)n1
InChIInChI=1S/C12H12FN3O2/c1-7-4-5-8(10(13)15-7)9-6-14-12(18-3)16-11(9)17-2/h4-6H,1-3H3
InChIKeyBPTJRVGKAFSPJF-UHFFFAOYSA-N
XLogP2.00
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-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-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine?
The IUPAC name of 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine (CID 58994242) is 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine is COc1ncc(-c2ccc(C)nc2F)c(OC)n1.
What is the InChIKey of 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine?
The InChIKey is BPTJRVGKAFSPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-4-5-8(10(13)15-7)9-6-14-12(18-3)16-11(9)17-2/h4-6H,1-3H3.
What are the key properties of 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine?
5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine has a molecular weight of 249.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methyl-3-pyridinyl)-2,4-dimethoxypyrimidine is sourced from PubChem (CID 58994242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).