4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine

C15H20F2N6O — CID 75510009

IUPAC4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine
SMILESCCOc1cc(N2CCN(Cc3nccn3C(F)F)CC2)ncn1
InChIInChI=1S/C15H20F2N6O/c1-2-24-14-9-12(19-11-20-14)22-7-5-21(6-8-22)10-13-18-3-4-23(13)15(16)17/h3-4,9,11,15H,2,5-8,10H2,1H3
InChIKeyOPOZIWCFISJGTA-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.79
Rot. Bonds6

About 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine

4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine (PubChem CID 75510009) has the molecular formula C15H20F2N6O and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine
PubChem CID75510009
Molecular FormulaC15H20F2N6O
Molecular Weight338.36 g/mol
Exact Mass338.17
IUPAC Name4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine
SMILESCCOc1cc(N2CCN(Cc3nccn3C(F)F)CC2)ncn1
InChIInChI=1S/C15H20F2N6O/c1-2-24-14-9-12(19-11-20-14)22-7-5-21(6-8-22)10-13-18-3-4-23(13)15(16)17/h3-4,9,11,15H,2,5-8,10H2,1H3
InChIKeyOPOZIWCFISJGTA-UHFFFAOYSA-N
XLogP1.79
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine?
The IUPAC name of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine (CID 75510009) is 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine.
What is the SMILES notation for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine?
The canonical SMILES for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine is CCOc1cc(N2CCN(Cc3nccn3C(F)F)CC2)ncn1.
What is the InChIKey of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine?
The InChIKey is OPOZIWCFISJGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O/c1-2-24-14-9-12(19-11-20-14)22-7-5-21(6-8-22)10-13-18-3-4-23(13)15(16)17/h3-4,9,11,15H,2,5-8,10H2,1H3.
What are the key properties of 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine?
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine has a molecular weight of 338.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-6-ethoxypyrimidine is sourced from PubChem (CID 75510009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).