4-(difluoromethoxy)-2,6-dimethylpyrimidine

C7H8F2N2O — CID 20652992

IUPAC4-(difluoromethoxy)-2,6-dimethylpyrimidine
SMILESCc1cc(OC(F)F)nc(C)n1
InChIInChI=1S/C7H8F2N2O/c1-4-3-6(12-7(8)9)11-5(2)10-4/h3,7H,1-2H3
InChIKeyQMBPIVVDZYYHBS-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.69
Rot. Bonds2

About 4-(difluoromethoxy)-2,6-dimethylpyrimidine

4-(difluoromethoxy)-2,6-dimethylpyrimidine (PubChem CID 20652992) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,6-dimethylpyrimidine
PubChem CID20652992
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name4-(difluoromethoxy)-2,6-dimethylpyrimidine
SMILESCc1cc(OC(F)F)nc(C)n1
InChIInChI=1S/C7H8F2N2O/c1-4-3-6(12-7(8)9)11-5(2)10-4/h3,7H,1-2H3
InChIKeyQMBPIVVDZYYHBS-UHFFFAOYSA-N
XLogP1.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(difluoromethoxy)-2,6-dimethylpyrimidine 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-(difluoromethoxy)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-2,6-dimethylpyrimidine (CID 20652992) is 4-(difluoromethoxy)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-2,6-dimethylpyrimidine is Cc1cc(OC(F)F)nc(C)n1.
What is the InChIKey of 4-(difluoromethoxy)-2,6-dimethylpyrimidine?
The InChIKey is QMBPIVVDZYYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-4-3-6(12-7(8)9)11-5(2)10-4/h3,7H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2,6-dimethylpyrimidine?
4-(difluoromethoxy)-2,6-dimethylpyrimidine has a molecular weight of 174.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,6-dimethylpyrimidine is sourced from PubChem (CID 20652992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).