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

C18H23ClN6O2 — CID 1291127

IUPACN-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23ClN6O2/c19-15-3-1-14(2-4-15)13-20-16-21-17(24-5-9-26-10-6-24)23-18(22-16)25-7-11-27-12-8-25/h1-4H,5-13H2,(H,20,21,22,23)
InChIKeyWSKQISBDINZTGF-UHFFFAOYSA-N
MW390.88 g/mol
LogP1.81
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1291127) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1291127
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC NameN-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23ClN6O2/c19-15-3-1-14(2-4-15)13-20-16-21-17(24-5-9-26-10-6-24)23-18(22-16)25-7-11-27-12-8-25/h1-4H,5-13H2,(H,20,21,22,23)
InChIKeyWSKQISBDINZTGF-UHFFFAOYSA-N
XLogP1.81
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-6-(4-morpholinyl)-N'-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 1043362
2,4-Bismorpholino-6-benzylamino-1,3,5-triazine
CID 1068729
N-Benzyl-6-chloro-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 685322
4-[(4-Chlorophenyl)methyl-cyclohexylamino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 71663299
N-(5-chloro-2-methylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7386934
N-[(4-chlorophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 887238
2-N,4-N-dibenzyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7589350
N-[(4-chlorophenyl)methyl]-N-cyclohexyl-4-methanimidoyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 78225952
4-N-[(4-chlorophenyl)methyl]-2-N-[(E)-(4-chlorophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 46906637
6-chloro-N2-(4-iodobenzyl)-N4-(2-morpholinoethyl)-1,3,5-triazine-2,4-diamine
CID 46906639
[4-(Cyclohexylamino)-6-morpholin-4-yl(1,3,5-triazin-2-yl)]benzylamine
CID 1275925
4,6-dimorpholino-N-phenethyl-1,3,5-triazin-2-amine
CID 42477654

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1291127) is N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Clc1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is WSKQISBDINZTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c19-15-3-1-14(2-4-15)13-20-16-21-17(24-5-9-26-10-6-24)23-18(22-16)25-7-11-27-12-8-25/h1-4H,5-13H2,(H,20,21,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 390.88 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1291127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).