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

C16H21ClN6O2 — CID 1035343

IUPAC2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCN2CCOCC2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN6O2/c1-24-16-21-14(18-6-7-23-8-10-25-11-9-23)20-15(22-16)19-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3,(H2,18,19,20,21,22)
InChIKeyYYRNXDSTFVGKPK-UHFFFAOYSA-N
MW364.84 g/mol
LogP2.02
Rot. Bonds7

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

2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1035343) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1035343
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCN2CCOCC2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN6O2/c1-24-16-21-14(18-6-7-23-8-10-25-11-9-23)20-15(22-16)19-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3,(H2,18,19,20,21,22)
InChIKeyYYRNXDSTFVGKPK-UHFFFAOYSA-N
XLogP2.02
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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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-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
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
(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

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 1035343) is 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is COc1nc(NCCN2CCOCC2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YYRNXDSTFVGKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O2/c1-24-16-21-14(18-6-7-23-8-10-25-11-9-23)20-15(22-16)19-13-4-2-12(17)3-5-13/h2-5H,6-11H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 364.84 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1035343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).