4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione

C11H14N4O2S — CID 25220334

IUPAC4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
SMILESCOc1ccc(OC)c(C2N=C(N)NC(=S)N2)c1
InChIInChI=1S/C11H14N4O2S/c1-16-6-3-4-8(17-2)7(5-6)9-13-10(12)15-11(18)14-9/h3-5,9H,1-2H3,(H4,12,13,14,15,18)
InChIKeyYQNKFHQBVPGAQD-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.49
Rot. Bonds3

About 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione

4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione (PubChem CID 25220334) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione.

Molecular Properties

Compound Name4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
PubChem CID25220334
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione
SMILESCOc1ccc(OC)c(C2N=C(N)NC(=S)N2)c1
InChIInChI=1S/C11H14N4O2S/c1-16-6-3-4-8(17-2)7(5-6)9-13-10(12)15-11(18)14-9/h3-5,9H,1-2H3,(H4,12,13,14,15,18)
InChIKeyYQNKFHQBVPGAQD-UHFFFAOYSA-N
XLogP0.49
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione 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 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
The IUPAC name of 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione (CID 25220334) is 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione.
What is the SMILES notation for 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
The canonical SMILES for 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione is COc1ccc(OC)c(C2N=C(N)NC(=S)N2)c1.
What is the InChIKey of 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
The InChIKey is YQNKFHQBVPGAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-16-6-3-4-8(17-2)7(5-6)9-13-10(12)15-11(18)14-9/h3-5,9H,1-2H3,(H4,12,13,14,15,18).
What are the key properties of 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione?
4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione has a molecular weight of 266.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,5-dimethoxyphenyl)-2,5-dihydro-1H-1,3,5-triazine-6-thione is sourced from PubChem (CID 25220334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).