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

C17H22Cl2N6O2 — CID 16810777

IUPACN-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H21ClN6O2.ClH/c18-13-2-1-3-14(12-13)19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24;/h1-3,12H,4-11H2,(H,19,20,21,22);1H
InChIKeyMAVFNVWJVPRIRI-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.36
Rot. Bonds4

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

N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 16810777) has the molecular formula C17H22Cl2N6O2 and a molecular weight of 413.31 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID16810777
Molecular FormulaC17H22Cl2N6O2
Molecular Weight413.31 g/mol
Exact Mass412.12
IUPAC NameN-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H21ClN6O2.ClH/c18-13-2-1-3-14(12-13)19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24;/h1-3,12H,4-11H2,(H,19,20,21,22);1H
InChIKeyMAVFNVWJVPRIRI-UHFFFAOYSA-N
XLogP2.36
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.36
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
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
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-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865
1-[2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-chlorophenyl)urea
CID 2239351
N-(3-chloro-4-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18580231

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 16810777) is N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is Cl.Clc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is MAVFNVWJVPRIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2.ClH/c18-13-2-1-3-14(12-13)19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24;/h1-3,12H,4-11H2,(H,19,20,21,22);1H.
What are the key properties of N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 413.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 16810777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).