6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine

C18H20F7N7 — CID 136981920

IUPAC6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2ccnc(C(F)(F)F)n2)(C2CCC(F)(F)C2)N/C(=N/C2CCC(F)(F)C2)N1
InChIInChI=1S/C18H20F7N7/c19-15(20)4-1-9(7-15)17(11-3-6-27-12(29-11)18(23,24)25)31-13(26)30-14(32-17)28-10-2-5-16(21,22)8-10/h3,6,9-10H,1-2,4-5,7-8H2,(H4,26,28,30,31,32)
InChIKeyZUOQXHBAYWVDDJ-UHFFFAOYSA-N
MW467.39 g/mol
LogP3.13
Rot. Bonds3

About 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine

6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 136981920) has the molecular formula C18H20F7N7 and a molecular weight of 467.39 g/mol. Its IUPAC name is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID136981920
Molecular FormulaC18H20F7N7
Molecular Weight467.39 g/mol
Exact Mass467.17
IUPAC Name6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2ccnc(C(F)(F)F)n2)(C2CCC(F)(F)C2)N/C(=N/C2CCC(F)(F)C2)N1
InChIInChI=1S/C18H20F7N7/c19-15(20)4-1-9(7-15)17(11-3-6-27-12(29-11)18(23,24)25)31-13(26)30-14(32-17)28-10-2-5-16(21,22)8-10/h3,6,9-10H,1-2,4-5,7-8H2,(H4,26,28,30,31,32)
InChIKeyZUOQXHBAYWVDDJ-UHFFFAOYSA-N
XLogP3.13
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 136981920) is 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine is NC1=NC(c2ccnc(C(F)(F)F)n2)(C2CCC(F)(F)C2)N/C(=N/C2CCC(F)(F)C2)N1.
What is the InChIKey of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is ZUOQXHBAYWVDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F7N7/c19-15(20)4-1-9(7-15)17(11-3-6-27-12(29-11)18(23,24)25)31-13(26)30-14(32-17)28-10-2-5-16(21,22)8-10/h3,6,9-10H,1-2,4-5,7-8H2,(H4,26,28,30,31,32).
What are the key properties of 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 467.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 136981920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).