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

C18H24Cl2N6O2 — CID 18580231

IUPACN-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl.Cl
InChIInChI=1S/C18H23ClN6O2.ClH/c1-13-2-3-14(12-15(13)19)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);1H
InChIKeyLOTOENMGQFEICZ-UHFFFAOYSA-N
MW427.34 g/mol
LogP2.67
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580231) has the molecular formula C18H24Cl2N6O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580231
Molecular FormulaC18H24Cl2N6O2
Molecular Weight427.34 g/mol
Exact Mass426.13
IUPAC NameN-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl.Cl
InChIInChI=1S/C18H23ClN6O2.ClH/c1-13-2-3-14(12-15(13)19)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);1H
InChIKeyLOTOENMGQFEICZ-UHFFFAOYSA-N
XLogP2.67
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921268
(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
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
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
(4-Chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
CID 44514203
4-[[4-[(2,6-Dichlorophenyl)methyl]-6-morpholino-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486427
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18580231) is N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is LOTOENMGQFEICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2.ClH/c1-13-2-3-14(12-15(13)19)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);1H.
What are the key properties of N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 427.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18580231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).