N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C24H24N8O4 — CID 70617138

IUPACN-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(OC)n4)cc3)cc2)nc(OC)n1
InChIInChI=1S/C24H24N8O4/c1-33-21-27-19(28-22(31-21)34-2)25-17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)26-20-29-23(35-3)32-24(30-20)36-4/h5-14H,1-4H3,(H,25,27,28,31)(H,26,29,30,32)
InChIKeyVWPJKALWZYZMHR-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.75
Rot. Bonds10

About N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 70617138) has the molecular formula C24H24N8O4 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID70617138
Molecular FormulaC24H24N8O4
Molecular Weight488.51 g/mol
Exact Mass488.19
IUPAC NameN-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(OC)n4)cc3)cc2)nc(OC)n1
InChIInChI=1S/C24H24N8O4/c1-33-21-27-19(28-22(31-21)34-2)25-17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)26-20-29-23(35-3)32-24(30-20)36-4/h5-14H,1-4H3,(H,25,27,28,31)(H,26,29,30,32)
InChIKeyVWPJKALWZYZMHR-UHFFFAOYSA-N
XLogP3.75
TPSA138.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
sodium 2-N-[4-[2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-oxidoperoxysulfanylphenyl]ethenyl]phenyl]-6-methoxy-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 59668393
N-[4-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 173062863
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 619065
2,4-dimethoxy-6-(2-phenylethenyl)-1,3,5-triazine
CID 86053148
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62861592
6-methoxy-2-N-(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 80768034
CID 173063141
CID 173063141

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 70617138) is N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(OC)n4)cc3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is VWPJKALWZYZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O4/c1-33-21-27-19(28-22(31-21)34-2)25-17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)26-20-29-23(35-3)32-24(30-20)36-4/h5-14H,1-4H3,(H,25,27,28,31)(H,26,29,30,32).
What are the key properties of N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 488.51 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 70617138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).