5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide

C18H16Cl2N6O — CID 10157990

IUPAC5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(N)nc(-c3cc(Cl)ccc3C)n2)ccc1Cl
InChIInChI=1S/C18H16Cl2N6O/c1-9-3-4-10(19)7-12(9)15-24-17(21)26-18(25-15)23-11-5-6-14(20)13(8-11)16(27)22-2/h3-8H,1-2H3,(H,22,27)(H3,21,23,24,25,26)
InChIKeyHFUDIFOCMJBZBD-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.84
Rot. Bonds4

About 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide

5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide (PubChem CID 10157990) has the molecular formula C18H16Cl2N6O and a molecular weight of 403.27 g/mol. Its IUPAC name is 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide
PubChem CID10157990
Molecular FormulaC18H16Cl2N6O
Molecular Weight403.27 g/mol
Exact Mass402.08
IUPAC Name5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(N)nc(-c3cc(Cl)ccc3C)n2)ccc1Cl
InChIInChI=1S/C18H16Cl2N6O/c1-9-3-4-10(19)7-12(9)15-24-17(21)26-18(25-15)23-11-5-6-14(20)13(8-11)16(27)22-2/h3-8H,1-2H3,(H,22,27)(H3,21,23,24,25,26)
InChIKeyHFUDIFOCMJBZBD-UHFFFAOYSA-N
XLogP3.84
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide 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 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide?
The IUPAC name of 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide (CID 10157990) is 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide.
What is the SMILES notation for 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide?
The canonical SMILES for 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide is CNC(=O)c1cc(Nc2nc(N)nc(-c3cc(Cl)ccc3C)n2)ccc1Cl.
What is the InChIKey of 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide?
The InChIKey is HFUDIFOCMJBZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O/c1-9-3-4-10(19)7-12(9)15-24-17(21)26-18(25-15)23-11-5-6-14(20)13(8-11)16(27)22-2/h3-8H,1-2H3,(H,22,27)(H3,21,23,24,25,26).
What are the key properties of 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide?
5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide has a molecular weight of 403.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 10157990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).