6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

C23H24N8O — CID 147303089

IUPAC6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(CCC4CCC4)nc3)n2)n1
InChIInChI=1S/C23H24N8O/c1-31(18-8-3-2-4-9-18)23-28-19(27-22(24)29-23)20-26-21(32-30-20)16-11-13-17(25-14-16)12-10-15-6-5-7-15/h2-4,8-9,11,13-15H,5-7,10,12H2,1H3,(H2,24,27,28,29)
InChIKeyCWMALHFHRDAYKY-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.07
Rot. Bonds7

About 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 147303089) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID147303089
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(CCC4CCC4)nc3)n2)n1
InChIInChI=1S/C23H24N8O/c1-31(18-8-3-2-4-9-18)23-28-19(27-22(24)29-23)20-26-21(32-30-20)16-11-13-17(25-14-16)12-10-15-6-5-7-15/h2-4,8-9,11,13-15H,5-7,10,12H2,1H3,(H2,24,27,28,29)
InChIKeyCWMALHFHRDAYKY-UHFFFAOYSA-N
XLogP4.07
TPSA119.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Risvodetinib
CID 122650693
6-cyclopropyl-N-(5-phenyl-1,2-oxazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329533
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(2S)-3-methylbutan-2-yl]piperidin-4-amine
CID 155543816
2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
2-[5-(3-Pyridinyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 798247
3-(1-Azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810899
4-[5-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile
CID 22142456
5-(5-(3-Methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
CID 59613513
5-[4-[1-(5-Pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68074929
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700096
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263892
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(2-methylpropyl)piperidin-4-amine
CID 118263923

Frequently Asked Questions

What is the IUPAC name of 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 147303089) is 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is CN(c1ccccc1)c1nc(N)nc(-c2noc(-c3ccc(CCC4CCC4)nc3)n2)n1.
What is the InChIKey of 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CWMALHFHRDAYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-31(18-8-3-2-4-9-18)23-28-19(27-22(24)29-23)20-26-21(32-30-20)16-11-13-17(25-14-16)12-10-15-6-5-7-15/h2-4,8-9,11,13-15H,5-7,10,12H2,1H3,(H2,24,27,28,29).
What are the key properties of 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 428.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[6-(2-cyclobutylethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 147303089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).