1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate

C8H17F6N2P — CID 10869879

IUPAC1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate
SMILESCCN1C=[N+](CC)CCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H17N2.F6P/c1-3-9-6-5-7-10(4-2)8-9;1-7(2,3,4,5)6/h8H,3-7H2,1-2H3;/q+1;-1
InChIKeyCRFUYEBWZLPULN-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.16
Rot. Bonds2

About 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate

1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate (PubChem CID 10869879) has the molecular formula C8H17F6N2P and a molecular weight of 286.20 g/mol. Its IUPAC name is 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate
PubChem CID10869879
Molecular FormulaC8H17F6N2P
Molecular Weight286.20 g/mol
Exact Mass286.10
IUPAC Name1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate
SMILESCCN1C=[N+](CC)CCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H17N2.F6P/c1-3-9-6-5-7-10(4-2)8-9;1-7(2,3,4,5)6/h8H,3-7H2,1-2H3;/q+1;-1
InChIKeyCRFUYEBWZLPULN-UHFFFAOYSA-N
XLogP4.16
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate?
The IUPAC name of 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate (CID 10869879) is 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate.
What is the SMILES notation for 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate?
The canonical SMILES for 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate is CCN1C=[N+](CC)CCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate?
The InChIKey is CRFUYEBWZLPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2.F6P/c1-3-9-6-5-7-10(4-2)8-9;1-7(2,3,4,5)6/h8H,3-7H2,1-2H3;/q+1;-1.
What are the key properties of 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate?
1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate has a molecular weight of 286.20 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium hexafluorophosphate is sourced from PubChem (CID 10869879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).