4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine

C14H14F2N4 — CID 68575451

IUPAC4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
SMILESFc1cccc(F)c1-c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C14H14F2N4/c15-10-2-1-3-11(16)13(10)12-4-5-18-14(19-12)20-8-6-17-7-9-20/h1-5,17H,6-9H2
InChIKeyLZAYWQNHBDYTIQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.83
Rot. Bonds2

About 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine

4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine (PubChem CID 68575451) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
PubChem CID68575451
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
SMILESFc1cccc(F)c1-c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C14H14F2N4/c15-10-2-1-3-11(16)13(10)12-4-5-18-14(19-12)20-8-6-17-7-9-20/h1-5,17H,6-9H2
InChIKeyLZAYWQNHBDYTIQ-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine (CID 68575451) is 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine is Fc1cccc(F)c1-c1ccnc(N2CCNCC2)n1.
What is the InChIKey of 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is LZAYWQNHBDYTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4/c15-10-2-1-3-11(16)13(10)12-4-5-18-14(19-12)20-8-6-17-7-9-20/h1-5,17H,6-9H2.
What are the key properties of 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine?
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 276.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 68575451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).