6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one

C20H20N6O — CID 158324489

IUPAC6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)c1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C20H20N6O/c1-12(2)18-24-19(21-14-6-4-3-5-7-14)26-20(25-18)22-15-9-8-13-10-17(27)23-16(13)11-15/h3-9,11-12H,10H2,1-2H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyBMABGJLBAKHDFJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.98
Rot. Bonds5

About 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one

6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 158324489) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one
PubChem CID158324489
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)c1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C20H20N6O/c1-12(2)18-24-19(21-14-6-4-3-5-7-14)26-20(25-18)22-15-9-8-13-10-17(27)23-16(13)11-15/h3-9,11-12H,10H2,1-2H3,(H,23,27)(H2,21,22,24,25,26)
InChIKeyBMABGJLBAKHDFJ-UHFFFAOYSA-N
XLogP3.98
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

6-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 160703504
6-[[4-tert-butyl-6-[(2-oxo-1,3-dihydroindol-6-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 161285312
6-(3-aminoanilino)-1,3-dihydroindol-2-one
CID 59397049
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
6-phenoxy-1,3-dihydroindol-2-one
CID 70875374
N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 104609384
5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43451744
N-[(2-oxo-1,3-dihydroindol-6-yl)carbamoyl]benzamide
CID 165033132
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
2-(4-methylanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 45379491
6-[[4-[3-(methylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 157275377
N-[3-[difluoromethyl-[5-fluoro-2-[(2-oxo-1,3-dihydroindol-6-yl)amino]pyrimidin-4-yl]amino]propyl]-N-propan-2-ylmethanesulfonamide
CID 11525963

Frequently Asked Questions

What is the IUPAC name of 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one (CID 158324489) is 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one is CC(C)c1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)NC(=O)C3)n1.
What is the InChIKey of 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is BMABGJLBAKHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12(2)18-24-19(21-14-6-4-3-5-7-14)26-20(25-18)22-15-9-8-13-10-17(27)23-16(13)11-15/h3-9,11-12H,10H2,1-2H3,(H,23,27)(H2,21,22,24,25,26).
What are the key properties of 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one?
6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-anilino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 158324489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).