1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea

C17H23N7O3 — CID 2210653

IUPAC1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCNc1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H23N7O3/c1-18-14-21-15(24-8-11-26-12-9-24)23-17(22-14)27-10-7-19-16(25)20-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,19,20,25)(H,18,21,22,23)
InChIKeyVGWXXBDOZSDPKM-UHFFFAOYSA-N
MW373.42 g/mol
LogP0.95
Rot. Bonds7

About 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea

1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (PubChem CID 2210653) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
PubChem CID2210653
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC Name1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCNc1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H23N7O3/c1-18-14-21-15(24-8-11-26-12-9-24)23-17(22-14)27-10-7-19-16(25)20-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,19,20,25)(H,18,21,22,23)
InChIKeyVGWXXBDOZSDPKM-UHFFFAOYSA-N
XLogP0.95
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea with MolForge

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Related Compounds

4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
CID 2834965
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
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
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
1-(2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 658880
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
4-(diphenylamino)-N,N,N-trimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-aminium
CID 3513539
1-(2-((4,6-Bis(diethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 4364919
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (CID 2210653) is 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is CNc1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The InChIKey is VGWXXBDOZSDPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3/c1-18-14-21-15(24-8-11-26-12-9-24)23-17(22-14)27-10-7-19-16(25)20-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,19,20,25)(H,18,21,22,23).
What are the key properties of 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea has a molecular weight of 373.42 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is sourced from PubChem (CID 2210653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).