2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine

C10H15FN2O — CID 147263072

IUPAC2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine
SMILESCOc1nc(C(C)(C)C)nc(C)c1F
InChIInChI=1S/C10H15FN2O/c1-6-7(11)8(14-5)13-9(12-6)10(2,3)4/h1-5H3
InChIKeyCOYHHDCMTKVFNJ-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.23
Rot. Bonds1

About 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine

2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine (PubChem CID 147263072) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine
PubChem CID147263072
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine
SMILESCOc1nc(C(C)(C)C)nc(C)c1F
InChIInChI=1S/C10H15FN2O/c1-6-7(11)8(14-5)13-9(12-6)10(2,3)4/h1-5H3
InChIKeyCOYHHDCMTKVFNJ-UHFFFAOYSA-N
XLogP2.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine 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 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine?
The IUPAC name of 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine (CID 147263072) is 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine is COc1nc(C(C)(C)C)nc(C)c1F.
What is the InChIKey of 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine?
The InChIKey is COYHHDCMTKVFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-6-7(11)8(14-5)13-9(12-6)10(2,3)4/h1-5H3.
What are the key properties of 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine?
2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine has a molecular weight of 198.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 147263072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).