N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C20H24N8O2 — CID 136690255

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)\c1c[nH]c2ccccc12
InChIInChI=1S/C20H24N8O2/c1-2-4-17-16(3-1)15(13-21-17)14-22-26-18-23-19(27-5-9-29-10-6-27)25-20(24-18)28-7-11-30-12-8-28/h1-4,13-14,21H,5-12H2,(H,23,24,25,26)/b22-14-
InChIKeyKICILADMDAUTLF-HMAPJEAMSA-N
MW408.47 g/mol
LogP1.47
Rot. Bonds5

About N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 136690255) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID136690255
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)\c1c[nH]c2ccccc12
InChIInChI=1S/C20H24N8O2/c1-2-4-17-16(3-1)15(13-21-17)14-22-26-18-23-19(27-5-9-29-10-6-27)25-20(24-18)28-7-11-30-12-8-28/h1-4,13-14,21H,5-12H2,(H,23,24,25,26)/b22-14-
InChIKeyKICILADMDAUTLF-HMAPJEAMSA-N
XLogP1.47
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
4-N-(2-chlorophenyl)-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389188
2-N-[(E)-1H-indol-3-ylmethylideneamino]-4-N-(5-methyl-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389200
N-[(E)-1H-indol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine dichloride
CID 135505691
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
2-N-(1H-indol-3-ylmethylideneamino)-4-N-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 136832231
4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 153389202
2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092789
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 136717071
4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3099879
4-N-[(3Z,5E)-6-fluoro-2-methylidenehexa-3,5-dienyl]-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 172921090
2-[2-[[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4767404

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 136690255) is N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is C(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)\c1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KICILADMDAUTLF-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-2-4-17-16(3-1)15(13-21-17)14-22-26-18-23-19(27-5-9-29-10-6-27)25-20(24-18)28-7-11-30-12-8-28/h1-4,13-14,21H,5-12H2,(H,23,24,25,26)/b22-14-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 408.47 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 136690255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).