4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

C15H21F3N6O3 — CID 154888310

IUPAC4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESCCc1nc(CNc2nc(N(C)C)nc(C)c2C)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N6O.C2HF3O2/c1-6-11-16-10(18-20-11)7-14-12-8(2)9(3)15-13(17-12)19(4)5;3-2(4,5)1(6)7/h6-7H2,1-5H3,(H,14,15,17);(H,6,7)
InChIKeyZBLUHBKPFOZADN-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.35
Rot. Bonds5

About 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (PubChem CID 154888310) has the molecular formula C15H21F3N6O3 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
PubChem CID154888310
Molecular FormulaC15H21F3N6O3
Molecular Weight390.37 g/mol
Exact Mass390.16
IUPAC Name4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESCCc1nc(CNc2nc(N(C)C)nc(C)c2C)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N6O.C2HF3O2/c1-6-11-16-10(18-20-11)7-14-12-8(2)9(3)15-13(17-12)19(4)5;3-2(4,5)1(6)7/h6-7H2,1-5H3,(H,14,15,17);(H,6,7)
InChIKeyZBLUHBKPFOZADN-UHFFFAOYSA-N
XLogP2.35
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (CID 154888310) is 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is CCc1nc(CNc2nc(N(C)C)nc(C)c2C)no1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is ZBLUHBKPFOZADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O.C2HF3O2/c1-6-11-16-10(18-20-11)7-14-12-8(2)9(3)15-13(17-12)19(4)5;3-2(4,5)1(6)7/h6-7H2,1-5H3,(H,14,15,17);(H,6,7).
What are the key properties of 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 390.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).