2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine

C7H9F2N5 — CID 54463874

IUPAC2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine
SMILESFc1nc(F)nc(C2CNCCN2)n1
InChIInChI=1S/C7H9F2N5/c8-6-12-5(13-7(9)14-6)4-3-10-1-2-11-4/h4,10-11H,1-3H2
InChIKeyXDMWCMDSJDDFFP-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.62
Rot. Bonds1

About 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine

2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine (PubChem CID 54463874) has the molecular formula C7H9F2N5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine
PubChem CID54463874
Molecular FormulaC7H9F2N5
Molecular Weight201.18 g/mol
Exact Mass201.08
IUPAC Name2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine
SMILESFc1nc(F)nc(C2CNCCN2)n1
InChIInChI=1S/C7H9F2N5/c8-6-12-5(13-7(9)14-6)4-3-10-1-2-11-4/h4,10-11H,1-3H2
InChIKeyXDMWCMDSJDDFFP-UHFFFAOYSA-N
XLogP-0.62
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, N-(3-(4-methyl-1-piperazinyl)propyl)-6-(trifluoromethyl)-
CID 3041967
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
CID 171358992
2,4-Difluoro-6-piperidin-2-yl-1,3,5-triazine
CID 54389752
4-Piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 112746487
6-(1-Amino-3,3-difluoropropyl)-1,3,5-triazine-2,4-diamine
CID 130568135
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
CID 132378848
6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine
CID 167885241
2-Piperazin-2-yl-1,3,5-triazine
CID 54211166
6-[2-(2-Aminoethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 56633121
6-(2-propyl-4,5-dihydro-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 67233758
6-[2-[2-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethylamino]ethylamino]ethyl]-1,3,5-triazine-2,4-diamine
CID 69505380
6-Piperidin-2-yl-1,3,5-triazine-2,4-diamine
CID 126982503

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine (CID 54463874) is 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine is Fc1nc(F)nc(C2CNCCN2)n1.
What is the InChIKey of 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine?
The InChIKey is XDMWCMDSJDDFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N5/c8-6-12-5(13-7(9)14-6)4-3-10-1-2-11-4/h4,10-11H,1-3H2.
What are the key properties of 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine?
2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine has a molecular weight of 201.18 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-piperazin-2-yl-1,3,5-triazine is sourced from PubChem (CID 54463874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).