4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine

C15H16F2N4 — CID 118025797

IUPAC4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine
SMILESFC(F)(c1ccccc1)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C15H16F2N4/c16-15(17,12-4-2-1-3-5-12)13-6-7-19-14(20-13)21-10-8-18-9-11-21/h1-7,18H,8-11H2
InChIKeyDSRVOQLCSVWDFC-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.03
Rot. Bonds3

About 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine

4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine (PubChem CID 118025797) has the molecular formula C15H16F2N4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine
PubChem CID118025797
Molecular FormulaC15H16F2N4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine
SMILESFC(F)(c1ccccc1)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C15H16F2N4/c16-15(17,12-4-2-1-3-5-12)13-6-7-19-14(20-13)21-10-8-18-9-11-21/h1-7,18H,8-11H2
InChIKeyDSRVOQLCSVWDFC-UHFFFAOYSA-N
XLogP2.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine (CID 118025797) is 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine is FC(F)(c1ccccc1)c1ccnc(N2CCNCC2)n1.
What is the InChIKey of 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine?
The InChIKey is DSRVOQLCSVWDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4/c16-15(17,12-4-2-1-3-5-12)13-6-7-19-14(20-13)21-10-8-18-9-11-21/h1-7,18H,8-11H2.
What are the key properties of 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine?
4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine has a molecular weight of 290.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(phenyl)methyl]-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 118025797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).