4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine

C13H18F4N4O — CID 75510031

IUPAC4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCN(CC(F)(F)C(F)F)CC2)ncn1
InChIInChI=1S/C13H18F4N4O/c1-2-22-11-7-10(18-9-19-11)21-5-3-20(4-6-21)8-13(16,17)12(14)15/h7,9,12H,2-6,8H2,1H3
InChIKeyMKARZLAPXVDSPF-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.90
Rot. Bonds6

About 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine

4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine (PubChem CID 75510031) has the molecular formula C13H18F4N4O and a molecular weight of 322.31 g/mol. Its IUPAC name is 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
PubChem CID75510031
Molecular FormulaC13H18F4N4O
Molecular Weight322.31 g/mol
Exact Mass322.14
IUPAC Name4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCN(CC(F)(F)C(F)F)CC2)ncn1
InChIInChI=1S/C13H18F4N4O/c1-2-22-11-7-10(18-9-19-11)21-5-3-20(4-6-21)8-13(16,17)12(14)15/h7,9,12H,2-6,8H2,1H3
InChIKeyMKARZLAPXVDSPF-UHFFFAOYSA-N
XLogP1.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine (CID 75510031) is 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine is CCOc1cc(N2CCN(CC(F)(F)C(F)F)CC2)ncn1.
What is the InChIKey of 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
The InChIKey is MKARZLAPXVDSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N4O/c1-2-22-11-7-10(18-9-19-11)21-5-3-20(4-6-21)8-13(16,17)12(14)15/h7,9,12H,2-6,8H2,1H3.
What are the key properties of 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine?
4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine has a molecular weight of 322.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 75510031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).