2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine

C26H20N14S2 — CID 148979613

IUPAC2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3cnccn3)n2)nc(-c2cnccn2)n1
InChIInChI=1S/C26H20N14S2/c27-23-35-21(17-13-29-9-11-31-17)37-25(39-23)33-15-5-1-3-7-19(15)41-42-20-8-4-2-6-16(20)34-26-38-22(36-24(28)40-26)18-14-30-10-12-32-18/h1-14H,(H3,27,33,35,37,39)(H3,28,34,36,38,40)
InChIKeyPVLZRQFNAUIJBD-UHFFFAOYSA-N
MW592.68 g/mol
LogP4.42
Rot. Bonds9

About 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine

2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 148979613) has the molecular formula C26H20N14S2 and a molecular weight of 592.68 g/mol. Its IUPAC name is 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID148979613
Molecular FormulaC26H20N14S2
Molecular Weight592.68 g/mol
Exact Mass592.14
IUPAC Name2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3cnccn3)n2)nc(-c2cnccn2)n1
InChIInChI=1S/C26H20N14S2/c27-23-35-21(17-13-29-9-11-31-17)37-25(39-23)33-15-5-1-3-7-19(15)41-42-20-8-4-2-6-16(20)34-26-38-22(36-24(28)40-26)18-14-30-10-12-32-18/h1-14H,(H3,27,33,35,37,39)(H3,28,34,36,38,40)
InChIKeyPVLZRQFNAUIJBD-UHFFFAOYSA-N
XLogP4.42
TPSA205.00 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine (CID 148979613) is 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccccc2SSc2ccccc2Nc2nc(N)nc(-c3cnccn3)n2)nc(-c2cnccn2)n1.
What is the InChIKey of 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PVLZRQFNAUIJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N14S2/c27-23-35-21(17-13-29-9-11-31-17)37-25(39-23)33-15-5-1-3-7-19(15)41-42-20-8-4-2-6-16(20)34-26-38-22(36-24(28)40-26)18-14-30-10-12-32-18/h1-14H,(H3,27,33,35,37,39)(H3,28,34,36,38,40).
What are the key properties of 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 592.68 g/mol, XLogP of 4.42, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[2-[(4-amino-6-pyrazin-2-yl-1,3,5-triazin-2-yl)amino]phenyl]disulfanyl]phenyl]-6-pyrazin-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 148979613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).