N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C20H24ClN7O2 — CID 5339229

IUPACN-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccccc1/C=C/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24ClN7O2/c21-17-6-2-1-4-16(17)5-3-7-22-26-18-23-19(27-8-12-29-13-9-27)25-20(24-18)28-10-14-30-15-11-28/h1-7H,8-15H2,(H,23,24,25,26)/b5-3+,22-7+
InChIKeyVQNDYQDYUOUASP-OIXAEXDXSA-N
MW429.91 g/mol
LogP2.31
Rot. Bonds6

About N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 5339229) has the molecular formula C20H24ClN7O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID5339229
Molecular FormulaC20H24ClN7O2
Molecular Weight429.91 g/mol
Exact Mass429.17
IUPAC NameN-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccccc1/C=C/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H24ClN7O2/c21-17-6-2-1-4-16(17)5-3-7-22-26-18-23-19(27-8-12-29-13-9-27)25-20(24-18)28-10-14-30-15-11-28/h1-7H,8-15H2,(H,23,24,25,26)/b5-3+,22-7+
InChIKeyVQNDYQDYUOUASP-OIXAEXDXSA-N
XLogP2.31
TPSA88.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 5339229) is N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Clc1ccccc1/C=C/C=N/Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is VQNDYQDYUOUASP-OIXAEXDXSA-N. The full InChI is InChI=1S/C20H24ClN7O2/c21-17-6-2-1-4-16(17)5-3-7-22-26-18-23-19(27-8-12-29-13-9-27)25-20(24-18)28-10-14-30-15-11-28/h1-7H,8-15H2,(H,23,24,25,26)/b5-3+,22-7+.
What are the key properties of N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 429.91 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(2-chlorophenyl)prop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5339229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).