methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate

C17H23N5O3 — CID 2275598

IUPACmethyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C17H23N5O3/c1-10(2)18-15-20-16(19-11(3)4)22-17(21-15)25-13-9-7-6-8-12(13)14(23)24-5/h6-11H,1-5H3,(H2,18,19,20,21,22)
InChIKeyTWBTYFFJJKWART-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.09
Rot. Bonds7

About methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate

methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 2275598) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID2275598
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Namemethyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C17H23N5O3/c1-10(2)18-15-20-16(19-11(3)4)22-17(21-15)25-13-9-7-6-8-12(13)14(23)24-5/h6-11H,1-5H3,(H2,18,19,20,21,22)
InChIKeyTWBTYFFJJKWART-UHFFFAOYSA-N
XLogP3.09
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate with MolForge

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Related Compounds

methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]benzoate
CID 19989358
2-(2-methoxycarbonylphenoxy)benzoic acid
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ethane;methyl 2-methoxybenzoate
CID 178037044
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516
methyl 2-butanoyloxybenzoate
CID 836876
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CID 2275598) is methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccccc1Oc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is TWBTYFFJJKWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10(2)18-15-20-16(19-11(3)4)22-17(21-15)25-13-9-7-6-8-12(13)14(23)24-5/h6-11H,1-5H3,(H2,18,19,20,21,22).
What are the key properties of methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 345.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 2275598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).