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

C7H9F2N5 — CID 127004945

IUPAC6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CC(F)(F)C2)n1
InChIInChI=1S/C7H9F2N5/c8-7(9)1-3(2-7)4-12-5(10)14-6(11)13-4/h3H,1-2H2,(H4,10,11,12,13,14)
InChIKeyULZSSZRYMDOXLN-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.55
Rot. Bonds1

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

6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 127004945) has the molecular formula C7H9F2N5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
PubChem CID127004945
Molecular FormulaC7H9F2N5
Molecular Weight201.18 g/mol
Exact Mass201.08
IUPAC Name6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CC(F)(F)C2)n1
InChIInChI=1S/C7H9F2N5/c8-7(9)1-3(2-7)4-12-5(10)14-6(11)13-4/h3H,1-2H2,(H4,10,11,12,13,14)
InChIKeyULZSSZRYMDOXLN-UHFFFAOYSA-N
XLogP0.55
TPSA90.71 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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(1-methylpropyl)-
CID 34917
6-(2,2,3,3,3-Pentafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512634
6-(3,3,3-Trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512642
6-(3,3,4,4,4-Pentafluorobutyl)-1,3,5-triazine-2,4-diamine
CID 14512643
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-(2,2-Difluoropropyl)-1,3,5-triazine-2,4-diamine
CID 130889701
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

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine (CID 127004945) is 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CC(F)(F)C2)n1.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ULZSSZRYMDOXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N5/c8-7(9)1-3(2-7)4-12-5(10)14-6(11)13-4/h3H,1-2H2,(H4,10,11,12,13,14).
What are the key properties of 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine?
6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 201.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclobutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127004945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).