4-cyclopropyl-6-(difluoromethoxy)pyrimidine

C8H8F2N2O — CID 162378215

IUPAC4-cyclopropyl-6-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cc(C2CC2)ncn1
InChIInChI=1S/C8H8F2N2O/c9-8(10)13-7-3-6(5-1-2-5)11-4-12-7/h3-5,8H,1-2H2
InChIKeyJUCFTUVZIJOZQU-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.96
Rot. Bonds3

About 4-cyclopropyl-6-(difluoromethoxy)pyrimidine

4-cyclopropyl-6-(difluoromethoxy)pyrimidine (PubChem CID 162378215) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-cyclopropyl-6-(difluoromethoxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(difluoromethoxy)pyrimidine
PubChem CID162378215
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name4-cyclopropyl-6-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cc(C2CC2)ncn1
InChIInChI=1S/C8H8F2N2O/c9-8(10)13-7-3-6(5-1-2-5)11-4-12-7/h3-5,8H,1-2H2
InChIKeyJUCFTUVZIJOZQU-UHFFFAOYSA-N
XLogP1.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(difluoromethoxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-(difluoromethoxy)pyrimidine (CID 162378215) is 4-cyclopropyl-6-(difluoromethoxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(difluoromethoxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(difluoromethoxy)pyrimidine is FC(F)Oc1cc(C2CC2)ncn1.
What is the InChIKey of 4-cyclopropyl-6-(difluoromethoxy)pyrimidine?
The InChIKey is JUCFTUVZIJOZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c9-8(10)13-7-3-6(5-1-2-5)11-4-12-7/h3-5,8H,1-2H2.
What are the key properties of 4-cyclopropyl-6-(difluoromethoxy)pyrimidine?
4-cyclopropyl-6-(difluoromethoxy)pyrimidine has a molecular weight of 186.16 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(difluoromethoxy)pyrimidine is sourced from PubChem (CID 162378215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).