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

C10H13F3N4O — CID 103151159

IUPAC4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)5-18-4-3-7-15-8(6-1-2-6)17-9(14)16-7/h6H,1-5H2,(H2,14,15,16,17)
InChIKeyBLNKQVBNJJHXTM-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.45
Rot. Bonds5

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

4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151159) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151159
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)5-18-4-3-7-15-8(6-1-2-6)17-9(14)16-7/h6H,1-5H2,(H2,14,15,16,17)
InChIKeyBLNKQVBNJJHXTM-UHFFFAOYSA-N
XLogP1.45
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.45
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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Related Compounds

6-[2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 14512671
4-Cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867458
4-Cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964614
4-Methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151151
4-[2-(2,2-Difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
CID 103151152
4-Ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151155
4-[2-(2,2-Difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine
CID 103151156
4-[2-(2,2-Difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine
CID 103151157
4-Propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151158
4-Cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151160
4-Tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151161
4-Tert-butyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151162

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151159) is 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(CCOCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is BLNKQVBNJJHXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)5-18-4-3-7-15-8(6-1-2-6)17-9(14)16-7/h6H,1-5H2,(H2,14,15,16,17).
What are the key properties of 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).