methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate

C19H25N5O4 — CID 1087039

IUPACmethyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H25N5O4/c1-19(2,3)23-16-20-17(24-9-11-27-12-10-24)22-18(21-16)28-14-7-5-13(6-8-14)15(25)26-4/h5-8H,9-12H2,1-4H3,(H,20,21,22,23)
InChIKeyAMCVXYIZBLAITK-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.50
Rot. Bonds5

About methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate

methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 1087039) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID1087039
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Namemethyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H25N5O4/c1-19(2,3)23-16-20-17(24-9-11-27-12-10-24)22-18(21-16)28-14-7-5-13(6-8-14)15(25)26-4/h5-8H,9-12H2,1-4H3,(H,20,21,22,23)
InChIKeyAMCVXYIZBLAITK-UHFFFAOYSA-N
XLogP2.50
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate with MolForge

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Launch Full Analysis

Related Compounds

4-(4-Ethylamino-6-methylsulfanyl-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 646307
Methyl 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742830
Methyl 4-{[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 969719
4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
CID 1302670
Methyl 4-{[4-(diethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 2243514
2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium
CID 91885433
Methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 742833
Methyl 4-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 805286
2-Amino-2-oxoethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 3243755
Ethyl 4-{[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 646098
4-(4-Dimethylamino-6-isopropylamino-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 647596
Ethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 697670

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (CID 1087039) is methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is AMCVXYIZBLAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-19(2,3)23-16-20-17(24-9-11-27-12-10-24)22-18(21-16)28-14-7-5-13(6-8-14)15(25)26-4/h5-8H,9-12H2,1-4H3,(H,20,21,22,23).
What are the key properties of methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 387.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 1087039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).