N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C18H23ClN6O2 — CID 7386934

IUPACN-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Cl)cc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23ClN6O2/c1-13-2-3-14(19)12-15(13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23)
InChIKeyOSXFFKFRESQXED-UHFFFAOYSA-N
MW390.88 g/mol
LogP2.25
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 7386934) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID7386934
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC NameN-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Cl)cc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23ClN6O2/c1-13-2-3-14(19)12-15(13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23)
InChIKeyOSXFFKFRESQXED-UHFFFAOYSA-N
XLogP2.25
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
N-(4-chlorophenyl)-6-morpholin-4-yl-N'-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3243109
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1089222
N-(3-chlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 16810777
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226
N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18580231
N-(3,4-dimethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580227
4,6-dimorpholino-N-(o-tolyl)-1,3,5-triazin-2-amine hydrochloride
CID 18580239
N-(4-Chloro-phenyl)-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1035343
N-(4-methylphenyl)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1353607
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(4-isopropyl-phenyl)-amine
CID 1102652
N-(3,4-dichlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580228

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 7386934) is N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Cc1ccc(Cl)cc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OSXFFKFRESQXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-13-2-3-14(19)12-15(13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25/h2-3,12H,4-11H2,1H3,(H,20,21,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 390.88 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 7386934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).