4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C12H13ClN4O3 — CID 83241667

IUPAC4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(OC)c(-c2nc(N)nc(Cl)n2)cc1OC
InChIInChI=1S/C12H13ClN4O3/c1-18-7-5-9(20-3)8(19-2)4-6(7)10-15-11(13)17-12(14)16-10/h4-5H,1-3H3,(H2,14,15,16,17)
InChIKeyASOZWOXPGUVZAD-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.80
Rot. Bonds4

About 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 83241667) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID83241667
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(OC)c(-c2nc(N)nc(Cl)n2)cc1OC
InChIInChI=1S/C12H13ClN4O3/c1-18-7-5-9(20-3)8(19-2)4-6(7)10-15-11(13)17-12(14)16-10/h4-5H,1-3H3,(H2,14,15,16,17)
InChIKeyASOZWOXPGUVZAD-UHFFFAOYSA-N
XLogP1.80
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-(2,4,5-trimethoxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 83241667) is 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(OC)c(-c2nc(N)nc(Cl)n2)cc1OC.
What is the InChIKey of 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is ASOZWOXPGUVZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-18-7-5-9(20-3)8(19-2)4-6(7)10-15-11(13)17-12(14)16-10/h4-5H,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 296.71 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).