N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C21H27ClN6O — CID 78225952

IUPACN-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILES[H]/N=C/c1nc(N2CCOCC2)nc(N(Cc2ccc(Cl)cc2)C2CCCCC2)n1
InChIInChI=1S/C21H27ClN6O/c22-17-8-6-16(7-9-17)15-28(18-4-2-1-3-5-18)21-25-19(14-23)24-20(26-21)27-10-12-29-13-11-27/h6-9,14,18,23H,1-5,10-13,15H2/b23-14+
InChIKeyNAOYNZFSBZQFCK-OEAKJJBVSA-N
MW414.94 g/mol
LogP3.70
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 78225952) has the molecular formula C21H27ClN6O and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID78225952
Molecular FormulaC21H27ClN6O
Molecular Weight414.94 g/mol
Exact Mass414.19
IUPAC NameN-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILES[H]/N=C/c1nc(N2CCOCC2)nc(N(Cc2ccc(Cl)cc2)C2CCCCC2)n1
InChIInChI=1S/C21H27ClN6O/c22-17-8-6-16(7-9-17)15-28(18-4-2-1-3-5-18)21-25-19(14-23)24-20(26-21)27-10-12-29-13-11-27/h6-9,14,18,23H,1-5,10-13,15H2/b23-14+
InChIKeyNAOYNZFSBZQFCK-OEAKJJBVSA-N
XLogP3.70
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 78225952) is N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is [H]/N=C/c1nc(N2CCOCC2)nc(N(Cc2ccc(Cl)cc2)C2CCCCC2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is NAOYNZFSBZQFCK-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H27ClN6O/c22-17-8-6-16(7-9-17)15-28(18-4-2-1-3-5-18)21-25-19(14-23)24-20(26-21)27-10-12-29-13-11-27/h6-9,14,18,23H,1-5,10-13,15H2/b23-14+.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 414.94 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 78225952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).