N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C24H30N8O2 — CID 6081116

IUPACN-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cn(-c2ccccc2)c(C)c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H30N8O2/c1-18-17-32(20-6-4-3-5-7-20)19(2)21(18)16-25-29-22-26-23(30-8-12-33-13-9-30)28-24(27-22)31-10-14-34-15-11-31/h3-7,16-17H,8-15H2,1-2H3,(H,26,27,28,29)/b25-16-
InChIKeyWAOICBCOTNRDAO-XYGWBWBKSA-N
MW462.56 g/mol
LogP2.40
Rot. Bonds6

About N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 6081116) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID6081116
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC NameN-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cn(-c2ccccc2)c(C)c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H30N8O2/c1-18-17-32(20-6-4-3-5-7-20)19(2)21(18)16-25-29-22-26-23(30-8-12-33-13-9-30)28-24(27-22)31-10-14-34-15-11-31/h3-7,16-17H,8-15H2,1-2H3,(H,26,27,28,29)/b25-16-
InChIKeyWAOICBCOTNRDAO-XYGWBWBKSA-N
XLogP2.40
TPSA92.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
4,6-dimorpholin-4-yl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazin-2-amine
CID 3096178
2-N-[(2,6-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3592088
4-N-benzyl-6-morpholin-4-yl-2-N-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 91962061
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6870742
N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6750186
4-[(2E)-2-benzylidenehydrazinyl]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 110178614
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 42477791
N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 136690255
2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-iodo-6-methylphenol
CID 137127262
4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 6026351

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 6081116) is N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Cc1cn(-c2ccccc2)c(C)c1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is WAOICBCOTNRDAO-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-18-17-32(20-6-4-3-5-7-20)19(2)21(18)16-25-29-22-26-23(30-8-12-33-13-9-30)28-24(27-22)31-10-14-34-15-11-31/h3-7,16-17H,8-15H2,1-2H3,(H,26,27,28,29)/b25-16-.
What are the key properties of N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 462.56 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 6081116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).