5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine

C20H24N8O — CID 166973215

IUPAC5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine
SMILESCNc1nc(OC)c(Nc2ncnc(N3CC(C)(C)c4ccccc43)n2)cc1N
InChIInChI=1S/C20H24N8O/c1-20(2)10-28(15-8-6-5-7-12(15)20)19-24-11-23-18(27-19)25-14-9-13(21)16(22-3)26-17(14)29-4/h5-9,11H,10,21H2,1-4H3,(H,22,26)(H,23,24,25,27)
InChIKeyMOAKDUINKHUEEX-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.07
Rot. Bonds5

About 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine

5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine (PubChem CID 166973215) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine.

Molecular Properties

Compound Name5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine
PubChem CID166973215
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine
SMILESCNc1nc(OC)c(Nc2ncnc(N3CC(C)(C)c4ccccc43)n2)cc1N
InChIInChI=1S/C20H24N8O/c1-20(2)10-28(15-8-6-5-7-12(15)20)19-24-11-23-18(27-19)25-14-9-13(21)16(22-3)26-17(14)29-4/h5-9,11H,10,21H2,1-4H3,(H,22,26)(H,23,24,25,27)
InChIKeyMOAKDUINKHUEEX-UHFFFAOYSA-N
XLogP3.07
TPSA114.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine with MolForge

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Related Compounds

3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole
CID 166973242
1-N-[2-(dimethylamino)ethyl]-4-N-[4-(3,3-dimethyl-6-phenyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-1,3,5-triazin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
CID 166973164
4-(5-chloro-3,3,6-trimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine
CID 171407889
N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-1,3,5-triazin-2-amine
CID 162728709
4-(6-chloro-5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-1,3,5-triazin-2-amine
CID 175505568
N-[5-[[4-(6-chloro-5-fluoro-3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]amino]-2-pyrrolidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide
CID 166973248
1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole
CID 158203090
1-[2-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-4-methoxy-5-[[4-(3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-1,3,5-triazin-2-yl]amino]anilino]prop-2-en-1-ol
CID 166973261
N-[2-[(2R)-2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methoxy-5-[[4-(3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]prop-2-enamide
CID 163911144
3-[2-[2-(dimethylamino)ethyl-methylamino]-4-propan-2-yloxy-5-[[4-(3,3,5,6-tetramethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-N-formylprop-2-enamide
CID 174107166
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-spiro[2H-indole-3,1'-cyclopropane]-1-ylpyrimidin-2-amine
CID 118912969
5-anilino-3-[(6-methoxy-2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)amino]-1,2,4-triazine-6-carboxamide
CID 175218999

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine?
The IUPAC name of 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine (CID 166973215) is 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine.
What is the SMILES notation for 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine?
The canonical SMILES for 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine is CNc1nc(OC)c(Nc2ncnc(N3CC(C)(C)c4ccccc43)n2)cc1N.
What is the InChIKey of 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine?
The InChIKey is MOAKDUINKHUEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-20(2)10-28(15-8-6-5-7-12(15)20)19-24-11-23-18(27-19)25-14-9-13(21)16(22-3)26-17(14)29-4/h5-9,11H,10,21H2,1-4H3,(H,22,26)(H,23,24,25,27).
What are the key properties of 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine?
5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine has a molecular weight of 392.47 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(3,3-dimethyl-2H-indol-1-yl)-1,3,5-triazin-2-yl]-6-methoxy-2-N-methylpyridine-2,3,5-triamine is sourced from PubChem (CID 166973215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).