4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine

C7H8F2N2OS — CID 694382

IUPAC4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(OC(F)F)n1
InChIInChI=1S/C7H8F2N2OS/c1-4-3-5(12-6(8)9)11-7(10-4)13-2/h3,6H,1-2H3
InChIKeyHGJRGQWMXBGPDK-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.11
Rot. Bonds3

About 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine

4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 694382) has the molecular formula C7H8F2N2OS and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine
PubChem CID694382
Molecular FormulaC7H8F2N2OS
Molecular Weight206.22 g/mol
Exact Mass206.03
IUPAC Name4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(OC(F)F)n1
InChIInChI=1S/C7H8F2N2OS/c1-4-3-5(12-6(8)9)11-7(10-4)13-2/h3,6H,1-2H3
InChIKeyHGJRGQWMXBGPDK-UHFFFAOYSA-N
XLogP2.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine 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)-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine (CID 694382) is 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine is CSc1nc(C)cc(OC(F)F)n1.
What is the InChIKey of 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is HGJRGQWMXBGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS/c1-4-3-5(12-6(8)9)11-7(10-4)13-2/h3,6H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine?
4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 206.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 694382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).