4-(difluoromethyl)-6-methylpyrimidin-5-ol

C6H6F2N2O — CID 176929127

IUPAC4-(difluoromethyl)-6-methylpyrimidin-5-ol
SMILESCc1ncnc(C(F)F)c1O
InChIInChI=1S/C6H6F2N2O/c1-3-5(11)4(6(7)8)10-2-9-3/h2,6,11H,1H3
InChIKeyXELOEHGIIVIZOH-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.43
Rot. Bonds1

About 4-(difluoromethyl)-6-methylpyrimidin-5-ol

4-(difluoromethyl)-6-methylpyrimidin-5-ol (PubChem CID 176929127) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methylpyrimidin-5-ol.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methylpyrimidin-5-ol
PubChem CID176929127
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-(difluoromethyl)-6-methylpyrimidin-5-ol
SMILESCc1ncnc(C(F)F)c1O
InChIInChI=1S/C6H6F2N2O/c1-3-5(11)4(6(7)8)10-2-9-3/h2,6,11H,1H3
InChIKeyXELOEHGIIVIZOH-UHFFFAOYSA-N
XLogP1.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methylpyrimidin-5-ol?
The IUPAC name of 4-(difluoromethyl)-6-methylpyrimidin-5-ol (CID 176929127) is 4-(difluoromethyl)-6-methylpyrimidin-5-ol.
What is the SMILES notation for 4-(difluoromethyl)-6-methylpyrimidin-5-ol?
The canonical SMILES for 4-(difluoromethyl)-6-methylpyrimidin-5-ol is Cc1ncnc(C(F)F)c1O.
What is the InChIKey of 4-(difluoromethyl)-6-methylpyrimidin-5-ol?
The InChIKey is XELOEHGIIVIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-3-5(11)4(6(7)8)10-2-9-3/h2,6,11H,1H3.
What are the key properties of 4-(difluoromethyl)-6-methylpyrimidin-5-ol?
4-(difluoromethyl)-6-methylpyrimidin-5-ol has a molecular weight of 160.12 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methylpyrimidin-5-ol is sourced from PubChem (CID 176929127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).