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

C16H16F7N7 — CID 137151683

IUPAC6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2ccnc(C(F)(F)F)n2)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1
InChIInChI=1S/C16H16F7N7/c17-13(18)3-7(4-13)15(9-1-2-25-10(27-9)16(21,22)23)29-11(24)28-12(30-15)26-8-5-14(19,20)6-8/h1-2,7-8H,3-6H2,(H4,24,26,28,29,30)
InChIKeyFWPYGWGZEPQRPY-UHFFFAOYSA-N
MW439.34 g/mol
LogP2.35
Rot. Bonds3

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

6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 137151683) has the molecular formula C16H16F7N7 and a molecular weight of 439.34 g/mol. Its IUPAC name is 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID137151683
Molecular FormulaC16H16F7N7
Molecular Weight439.34 g/mol
Exact Mass439.14
IUPAC Name6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1=NC(c2ccnc(C(F)(F)F)n2)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1
InChIInChI=1S/C16H16F7N7/c17-13(18)3-7(4-13)15(9-1-2-25-10(27-9)16(21,22)23)29-11(24)28-12(30-15)26-8-5-14(19,20)6-8/h1-2,7-8H,3-6H2,(H4,24,26,28,29,30)
InChIKeyFWPYGWGZEPQRPY-UHFFFAOYSA-N
XLogP2.35
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 52.35
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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 137151683) is 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)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)(C2CC(F)(F)C2)N/C(=N/C2CC(F)(F)C2)N1.
What is the InChIKey of 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is FWPYGWGZEPQRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F7N7/c17-13(18)3-7(4-13)15(9-1-2-25-10(27-9)16(21,22)23)29-11(24)28-12(30-15)26-8-5-14(19,20)6-8/h1-2,7-8H,3-6H2,(H4,24,26,28,29,30).
What are the key properties of 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine?
6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 439.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluorocyclobutyl)-2-(3,3-difluorocyclobutyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 137151683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).