2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C19H26ClN7O2 — CID 3243109

IUPAC2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H26ClN7O2/c20-15-1-3-16(4-2-15)22-18-23-17(21-5-6-26-7-11-28-12-8-26)24-19(25-18)27-9-13-29-14-10-27/h1-4H,5-14H2,(H2,21,22,23,24,25)
InChIKeyMPWJNHYUAKTDSW-UHFFFAOYSA-N
MW419.92 g/mol
LogP1.85
Rot. Bonds7

About 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3243109) has the molecular formula C19H26ClN7O2 and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID3243109
Molecular FormulaC19H26ClN7O2
Molecular Weight419.92 g/mol
Exact Mass419.18
IUPAC Name2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H26ClN7O2/c20-15-1-3-16(4-2-15)22-18-23-17(21-5-6-26-7-11-28-12-8-26)24-19(25-18)27-9-13-29-14-10-27/h1-4H,5-14H2,(H2,21,22,23,24,25)
InChIKeyMPWJNHYUAKTDSW-UHFFFAOYSA-N
XLogP1.85
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
2-[[4-(4-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 2055451
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
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-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

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 3243109) is 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MPWJNHYUAKTDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7O2/c20-15-1-3-16(4-2-15)22-18-23-17(21-5-6-26-7-11-28-12-8-26)24-19(25-18)27-9-13-29-14-10-27/h1-4H,5-14H2,(H2,21,22,23,24,25).
What are the key properties of 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 419.92 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3243109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).