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

C17H21Cl3N6O2 — CID 18580228

IUPACN-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Clc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H20Cl2N6O2.ClH/c18-13-2-1-12(11-14(13)19)20-15-21-16(24-3-7-26-8-4-24)23-17(22-15)25-5-9-27-10-6-25;/h1-2,11H,3-10H2,(H,20,21,22,23);1H
InChIKeyVSFSRWSTVVIITJ-UHFFFAOYSA-N
MW447.75 g/mol
LogP3.02
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580228) has the molecular formula C17H21Cl3N6O2 and a molecular weight of 447.75 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580228
Molecular FormulaC17H21Cl3N6O2
Molecular Weight447.75 g/mol
Exact Mass446.08
IUPAC NameN-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Clc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H20Cl2N6O2.ClH/c18-13-2-1-12(11-14(13)19)20-15-21-16(24-3-7-26-8-4-24)23-17(22-15)25-5-9-27-10-6-25;/h1-2,11H,3-10H2,(H,20,21,22,23);1H
InChIKeyVSFSRWSTVVIITJ-UHFFFAOYSA-N
XLogP3.02
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
N-(4-chlorophenyl)-6-morpholin-4-yl-N'-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3243109
2-({4-[(4-Chlorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 3141864
N-(3,4-Dichloro-phenyl)-N',N',N'',N''-tetramethyl-[1,3,5]triazine-2,4,6-triamine
CID 766777
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865
N-(3-chlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 16810777
N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18580231
N-(3,4-dichlorophenyl)-2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 1002158
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(3-fluoro-phenyl)-amine
CID 1074706
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158962
4-[4-[[4-Chloro-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]morpholin-3-one
CID 145954492
N-(4-Chloro-phenyl)-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1035343

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18580228) is N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is Cl.Clc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is VSFSRWSTVVIITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N6O2.ClH/c18-13-2-1-12(11-14(13)19)20-15-21-16(24-3-7-26-8-4-24)23-17(22-15)25-5-9-27-10-6-25;/h1-2,11H,3-10H2,(H,20,21,22,23);1H.
What are the key properties of N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 447.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18580228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).