6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

C25H41N9O — CID 159709151

IUPAC6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C25H41N9O/c1-5-33(6-2)15-9-13-26-23-30-24(27-14-10-16-34(7-3)8-4)32-25(31-23)28-20-12-11-19-17-22(35)29-21(19)18-20/h11-12,18H,5-10,13-17H2,1-4H3,(H,29,35)(H3,26,27,28,30,31,32)
InChIKeyMYPLBSJESZSFRH-UHFFFAOYSA-N
MW483.67 g/mol
LogP3.40
Rot. Bonds16

About 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one

6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 159709151) has the molecular formula C25H41N9O and a molecular weight of 483.67 g/mol. Its IUPAC name is 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID159709151
Molecular FormulaC25H41N9O
Molecular Weight483.67 g/mol
Exact Mass483.34
IUPAC Name6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C25H41N9O/c1-5-33(6-2)15-9-13-26-23-30-24(27-14-10-16-34(7-3)8-4)32-25(31-23)28-20-12-11-19-17-22(35)29-21(19)18-20/h11-12,18H,5-10,13-17H2,1-4H3,(H,29,35)(H3,26,27,28,30,31,32)
InChIKeyMYPLBSJESZSFRH-UHFFFAOYSA-N
XLogP3.40
TPSA110.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.67
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

(S)-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821915
(S)-N-ethyl-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide
CID 24821916
(S)-N-isopropyl-4-methyl-3-(4-(methyl(neopentyl)-amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-benzamide
CID 24821979
(S)-3-(4-(isobutyl(methyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)-4-methylbenzamide
CID 44421262
1-[6-[[4-[4-(Piperidine-1-carbonyl)anilino]-1,3,5-triazin-2-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one
CID 151235424
3-[[4-[2,2-Dimethylpropyl(methyl)amino]-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylbenzamide
CID 20800534
4-[3-(diethylamino)propyl]-N-(2-oxo-1,3-dihydroindol-6-yl)piperidine-1-carboxamide
CID 155954141
1-[3-[[4-(Diethylamino)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117091075
VD2Dmr29U5
CID 11203042
6-[[4-(Cyclohexylmethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039450
6-[[4-(Benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039456
6-[[4-[(4-Fluorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one
CID 58039920

Frequently Asked Questions

What is the IUPAC name of 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one (CID 159709151) is 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is CCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2ccc3c(c2)NC(=O)C3)n1.
What is the InChIKey of 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is MYPLBSJESZSFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N9O/c1-5-33(6-2)15-9-13-26-23-30-24(27-14-10-16-34(7-3)8-4)32-25(31-23)28-20-12-11-19-17-22(35)29-21(19)18-20/h11-12,18H,5-10,13-17H2,1-4H3,(H,29,35)(H3,26,27,28,30,31,32).
What are the key properties of 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one?
6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 483.67 g/mol, XLogP of 3.40, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 159709151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).