4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C12H18F2N4O — CID 103151164

IUPAC4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C12H18F2N4O/c13-9(14)7-19-6-5-10-16-11(18-12(15)17-10)8-3-1-2-4-8/h8-9H,1-7H2,(H2,15,16,17,18)
InChIKeyRMTNVTYUWGCOMD-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.94
Rot. Bonds6

About 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151164) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151164
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C12H18F2N4O/c13-9(14)7-19-6-5-10-16-11(18-12(15)17-10)8-3-1-2-4-8/h8-9H,1-7H2,(H2,15,16,17,18)
InChIKeyRMTNVTYUWGCOMD-UHFFFAOYSA-N
XLogP1.94
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151164) is 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(CCOCC(F)F)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is RMTNVTYUWGCOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c13-9(14)7-19-6-5-10-16-11(18-12(15)17-10)8-3-1-2-4-8/h8-9H,1-7H2,(H2,15,16,17,18).
What are the key properties of 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 272.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).