2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

C9H11F3N6 — CID 114783696

IUPAC2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(F)(F)F)c2[nH]cnc2n1
InChIInChI=1S/C9H11F3N6/c1-2-13-8-17-6(14-3-9(10,11)12)5-7(18-8)16-4-15-5/h4H,2-3H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyBGPDGMGMMJAGGU-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.76
Rot. Bonds4

About 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (PubChem CID 114783696) has the molecular formula C9H11F3N6 and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
PubChem CID114783696
Molecular FormulaC9H11F3N6
Molecular Weight260.22 g/mol
Exact Mass260.10
IUPAC Name2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(F)(F)F)c2[nH]cnc2n1
InChIInChI=1S/C9H11F3N6/c1-2-13-8-17-6(14-3-9(10,11)12)5-7(18-8)16-4-15-5/h4H,2-3H2,1H3,(H3,13,14,15,16,17,18)
InChIKeyBGPDGMGMMJAGGU-UHFFFAOYSA-N
XLogP1.76
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
CID 114786320
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
6-N-(2,2,2-trifluoroethyl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]-7H-purine-2,6-diamine
CID 162677125
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine (CID 114783696) is 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is CCNc1nc(NCC(F)(F)F)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
The InChIKey is BGPDGMGMMJAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6/c1-2-13-8-17-6(14-3-9(10,11)12)5-7(18-8)16-4-15-5/h4H,2-3H2,1H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine has a molecular weight of 260.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114783696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).