2-(difluoromethoxymethyl)pyrimidine

C6H6F2N2O — CID 123724255

IUPAC2-(difluoromethoxymethyl)pyrimidine
SMILESFC(F)OCc1ncccn1
InChIInChI=1S/C6H6F2N2O/c7-6(8)11-4-5-9-2-1-3-10-5/h1-3,6H,4H2
InChIKeyFIRDTMGQFITMSQ-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.22
Rot. Bonds3

About 2-(difluoromethoxymethyl)pyrimidine

2-(difluoromethoxymethyl)pyrimidine (PubChem CID 123724255) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-(difluoromethoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(difluoromethoxymethyl)pyrimidine
PubChem CID123724255
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-(difluoromethoxymethyl)pyrimidine
SMILESFC(F)OCc1ncccn1
InChIInChI=1S/C6H6F2N2O/c7-6(8)11-4-5-9-2-1-3-10-5/h1-3,6H,4H2
InChIKeyFIRDTMGQFITMSQ-UHFFFAOYSA-N
XLogP1.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylperoxymethyl)pyrimidine
CID 89164584
butyl N-[2-hydroxy-2-(pyrimidin-2-ylmethoxy)ethyl]carbamate
CID 70125416
pyrimidin-2-ylmethoxymethylphosphonic acid
CID 21469983
2-(thiophen-3-yloxymethyl)pyrimidine
CID 18172154
2-(difluoromethoxy)ethoxymethylbenzene
CID 155234334
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
2-sulfanyloxypyrimidine
CID 19387748
pyrimidin-2-ylmethanol
CID 2763024
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
4-(difluoromethyl)-2-(trifluoromethoxymethyl)pyrimidine
CID 123454502
(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine
CID 135132893

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxymethyl)pyrimidine?
The IUPAC name of 2-(difluoromethoxymethyl)pyrimidine (CID 123724255) is 2-(difluoromethoxymethyl)pyrimidine.
What is the SMILES notation for 2-(difluoromethoxymethyl)pyrimidine?
The canonical SMILES for 2-(difluoromethoxymethyl)pyrimidine is FC(F)OCc1ncccn1.
What is the InChIKey of 2-(difluoromethoxymethyl)pyrimidine?
The InChIKey is FIRDTMGQFITMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-6(8)11-4-5-9-2-1-3-10-5/h1-3,6H,4H2.
What are the key properties of 2-(difluoromethoxymethyl)pyrimidine?
2-(difluoromethoxymethyl)pyrimidine has a molecular weight of 160.12 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxymethyl)pyrimidine is sourced from PubChem (CID 123724255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).