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

C10H14F2N4O — CID 103151160

IUPAC4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H14F2N4O/c11-7(12)5-17-4-3-8-14-9(6-1-2-6)16-10(13)15-8/h6-7H,1-5H2,(H2,13,14,15,16)
InChIKeyWRBJJMKUGDOTMF-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.16
Rot. Bonds6

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

4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151160) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151160
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H14F2N4O/c11-7(12)5-17-4-3-8-14-9(6-1-2-6)16-10(13)15-8/h6-7H,1-5H2,(H2,13,14,15,16)
InChIKeyWRBJJMKUGDOTMF-UHFFFAOYSA-N
XLogP1.16
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.16
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-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151160) is 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(CCOCC(F)F)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is WRBJJMKUGDOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-7(12)5-17-4-3-8-14-9(6-1-2-6)16-10(13)15-8/h6-7H,1-5H2,(H2,13,14,15,16).
What are the key properties of 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 244.24 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).