4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine

C8H7F5N2O2 — CID 118484811

IUPAC4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESCOc1ncnc(OC)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F5N2O2/c1-16-5-4(6(17-2)15-3-14-5)7(9,10)8(11,12)13/h3H,1-2H3
InChIKeyANAQYZHLZXVVHO-UHFFFAOYSA-N
MW258.15 g/mol
LogP2.15
Rot. Bonds3

About 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine

4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine (PubChem CID 118484811) has the molecular formula C8H7F5N2O2 and a molecular weight of 258.15 g/mol. Its IUPAC name is 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
PubChem CID118484811
Molecular FormulaC8H7F5N2O2
Molecular Weight258.15 g/mol
Exact Mass258.04
IUPAC Name4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine
SMILESCOc1ncnc(OC)c1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F5N2O2/c1-16-5-4(6(17-2)15-3-14-5)7(9,10)8(11,12)13/h3H,1-2H3
InChIKeyANAQYZHLZXVVHO-UHFFFAOYSA-N
XLogP2.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The IUPAC name of 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine (CID 118484811) is 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The canonical SMILES for 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine is COc1ncnc(OC)c1C(F)(F)C(F)(F)F.
What is the InChIKey of 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
The InChIKey is ANAQYZHLZXVVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2/c1-16-5-4(6(17-2)15-3-14-5)7(9,10)8(11,12)13/h3H,1-2H3.
What are the key properties of 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine?
4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine has a molecular weight of 258.15 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-(1,1,2,2,2-pentafluoroethyl)pyrimidine is sourced from PubChem (CID 118484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).