4-(difluoromethyl)-5-methoxy-6-methylpyrimidine

C7H8F2N2O — CID 162597762

IUPAC4-(difluoromethyl)-5-methoxy-6-methylpyrimidine
SMILESCOc1c(C)ncnc1C(F)F
InChIInChI=1S/C7H8F2N2O/c1-4-6(12-2)5(7(8)9)11-3-10-4/h3,7H,1-2H3
InChIKeyOTSVIPKXQMZWOR-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.73
Rot. Bonds2

About 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine

4-(difluoromethyl)-5-methoxy-6-methylpyrimidine (PubChem CID 162597762) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-6-methylpyrimidine
PubChem CID162597762
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name4-(difluoromethyl)-5-methoxy-6-methylpyrimidine
SMILESCOc1c(C)ncnc1C(F)F
InChIInChI=1S/C7H8F2N2O/c1-4-6(12-2)5(7(8)9)11-3-10-4/h3,7H,1-2H3
InChIKeyOTSVIPKXQMZWOR-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine (CID 162597762) is 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine is COc1c(C)ncnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine?
The InChIKey is OTSVIPKXQMZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-4-6(12-2)5(7(8)9)11-3-10-4/h3,7H,1-2H3.
What are the key properties of 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine?
4-(difluoromethyl)-5-methoxy-6-methylpyrimidine has a molecular weight of 174.15 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methoxy-6-methylpyrimidine is sourced from PubChem (CID 162597762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).