2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C16H20BrN7O — CID 171980798

IUPAC2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N/N=C(/C)c2ccc(Br)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H20BrN7O/c1-11(12-3-5-13(17)6-4-12)22-23-15-19-14(18-2)20-16(21-15)24-7-9-25-10-8-24/h3-6H,7-10H2,1-2H3,(H2,18,19,20,21,23)/b22-11-
InChIKeyAQEUIFOQLYGELW-JJFYIABZSA-N
MW406.29 g/mol
LogP2.35
Rot. Bonds5

About 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 171980798) has the molecular formula C16H20BrN7O and a molecular weight of 406.29 g/mol. Its IUPAC name is 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID171980798
Molecular FormulaC16H20BrN7O
Molecular Weight406.29 g/mol
Exact Mass405.09
IUPAC Name2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N/N=C(/C)c2ccc(Br)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H20BrN7O/c1-11(12-3-5-13(17)6-4-12)22-23-15-19-14(18-2)20-16(21-15)24-7-9-25-10-8-24/h3-6H,7-10H2,1-2H3,(H2,18,19,20,21,23)/b22-11-
InChIKeyAQEUIFOQLYGELW-JJFYIABZSA-N
XLogP2.35
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine 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-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3409848
4-N-(3-bromophenyl)-2-N-[1-(4-chlorophenyl)ethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3589879
2-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978815
3-N-[1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethylideneamino]-1,2,4-triazole-3,4-diamine
CID 3100121
N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3092763
6-morpholin-4-yl-4-N-naphthalen-1-yl-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1,3,5-triazine-2,4-diamine
CID 46495360
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-3-phenylprop-2-enehydrazonoyl bromide
CID 1000397
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 171980798) is 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CNc1nc(N/N=C(/C)c2ccc(Br)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is AQEUIFOQLYGELW-JJFYIABZSA-N. The full InChI is InChI=1S/C16H20BrN7O/c1-11(12-3-5-13(17)6-4-12)22-23-15-19-14(18-2)20-16(21-15)24-7-9-25-10-8-24/h3-6H,7-10H2,1-2H3,(H2,18,19,20,21,23)/b22-11-.
What are the key properties of 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 406.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171980798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).