4-(difluoromethoxy)-6-methylpyrimidine

C6H6F2N2O — CID 18769387

IUPAC4-(difluoromethoxy)-6-methylpyrimidine
SMILESCc1cc(OC(F)F)ncn1
InChIInChI=1S/C6H6F2N2O/c1-4-2-5(10-3-9-4)11-6(7)8/h2-3,6H,1H3
InChIKeyOPHDGVVUGPEJFH-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.39
Rot. Bonds2

About 4-(difluoromethoxy)-6-methylpyrimidine

4-(difluoromethoxy)-6-methylpyrimidine (PubChem CID 18769387) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-methylpyrimidine
PubChem CID18769387
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-(difluoromethoxy)-6-methylpyrimidine
SMILESCc1cc(OC(F)F)ncn1
InChIInChI=1S/C6H6F2N2O/c1-4-2-5(10-3-9-4)11-6(7)8/h2-3,6H,1H3
InChIKeyOPHDGVVUGPEJFH-UHFFFAOYSA-N
XLogP1.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-methylpyrimidine?
The IUPAC name of 4-(difluoromethoxy)-6-methylpyrimidine (CID 18769387) is 4-(difluoromethoxy)-6-methylpyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-6-methylpyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-6-methylpyrimidine is Cc1cc(OC(F)F)ncn1.
What is the InChIKey of 4-(difluoromethoxy)-6-methylpyrimidine?
The InChIKey is OPHDGVVUGPEJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-4-2-5(10-3-9-4)11-6(7)8/h2-3,6H,1H3.
What are the key properties of 4-(difluoromethoxy)-6-methylpyrimidine?
4-(difluoromethoxy)-6-methylpyrimidine has a molecular weight of 160.12 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-methylpyrimidine is sourced from PubChem (CID 18769387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).