N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

C19H24Cl2N6O — CID 25260656

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(C)nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C19H24Cl2N6O/c1-11-24-18(22-2)27-19(25-11)26-15-7-4-12(5-8-15)17(28)23-10-13-3-6-14(20)9-16(13)21/h3,6,9,12,15H,4-5,7-8,10H2,1-2H3,(H,23,28)(H2,22,24,25,26,27)
InChIKeyGIISVYLOCLLWLO-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.82
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 25260656) has the molecular formula C19H24Cl2N6O and a molecular weight of 423.35 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID25260656
Molecular FormulaC19H24Cl2N6O
Molecular Weight423.35 g/mol
Exact Mass422.14
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(C)nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C19H24Cl2N6O/c1-11-24-18(22-2)27-19(25-11)26-15-7-4-12(5-8-15)17(28)23-10-13-3-6-14(20)9-16(13)21/h3,6,9,12,15H,4-5,7-8,10H2,1-2H3,(H,23,28)(H2,22,24,25,26,27)
InChIKeyGIISVYLOCLLWLO-UHFFFAOYSA-N
XLogP3.82
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide 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 N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (CID 25260656) is N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is CNc1nc(C)nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is GIISVYLOCLLWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N6O/c1-11-24-18(22-2)27-19(25-11)26-15-7-4-12(5-8-15)17(28)23-10-13-3-6-14(20)9-16(13)21/h3,6,9,12,15H,4-5,7-8,10H2,1-2H3,(H,23,28)(H2,22,24,25,26,27).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 423.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 25260656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).