4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine

C7H8F2N2O4S — CID 19100538

IUPAC4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine
SMILESCOc1cc(OC(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H8F2N2O4S/c1-14-4-3-5(15-6(8)9)11-7(10-4)16(2,12)13/h3,6H,1-2H3
InChIKeyPBDUGUOJJABWLO-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.49
Rot. Bonds4

About 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine

4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine (PubChem CID 19100538) has the molecular formula C7H8F2N2O4S and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine
PubChem CID19100538
Molecular FormulaC7H8F2N2O4S
Molecular Weight254.21 g/mol
Exact Mass254.02
IUPAC Name4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine
SMILESCOc1cc(OC(F)F)nc(S(C)(=O)=O)n1
InChIInChI=1S/C7H8F2N2O4S/c1-14-4-3-5(15-6(8)9)11-7(10-4)16(2,12)13/h3,6H,1-2H3
InChIKeyPBDUGUOJJABWLO-UHFFFAOYSA-N
XLogP0.49
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine (CID 19100538) is 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine is COc1cc(OC(F)F)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine?
The InChIKey is PBDUGUOJJABWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O4S/c1-14-4-3-5(15-6(8)9)11-7(10-4)16(2,12)13/h3,6H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine?
4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine has a molecular weight of 254.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methoxy-2-methylsulfonylpyrimidine is sourced from PubChem (CID 19100538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).