6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine

C8H11F2N5 — CID 175495116

IUPAC6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N5/c9-8(10)2-1-4(3-8)5-13-6(11)15-7(12)14-5/h4H,1-3H2,(H4,11,12,13,14,15)
InChIKeyILJDLDATVCNILD-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.94
Rot. Bonds1

About 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine

6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 175495116) has the molecular formula C8H11F2N5 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID175495116
Molecular FormulaC8H11F2N5
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N5/c9-8(10)2-1-4(3-8)5-13-6(11)15-7(12)14-5/h4H,1-3H2,(H4,11,12,13,14,15)
InChIKeyILJDLDATVCNILD-UHFFFAOYSA-N
XLogP0.94
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-1,3,5-triazine-2,4-diamine
CID 14512644
6-(3,3,4,4,5,5,5-Heptafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512646
6-(4,4,5,5,5-Pentafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512658
6-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
CID 14512663
6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
6-(3,3-Difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
CID 127004945
6-(1-Fluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 135367721
6-[4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
CID 139685065
6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 140663821
6-(2,2-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 151228038
6-(1,1,1-Trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 151249753

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine (CID 175495116) is 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCC(F)(F)C2)n1.
What is the InChIKey of 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ILJDLDATVCNILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N5/c9-8(10)2-1-4(3-8)5-13-6(11)15-7(12)14-5/h4H,1-3H2,(H4,11,12,13,14,15).
What are the key properties of 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine?
6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 215.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175495116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).