methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate

C9H14N4O4 — CID 62859804

IUPACmethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H14N4O4/c1-5(6(14)15-2)10-7-11-8(16-3)13-9(12-7)17-4/h5H,1-4H3,(H,10,11,12,13)
InChIKeyPTLCKYMRSSFLLY-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.14
Rot. Bonds5

About methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate

methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate (PubChem CID 62859804) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate
PubChem CID62859804
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Namemethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H14N4O4/c1-5(6(14)15-2)10-7-11-8(16-3)13-9(12-7)17-4/h5H,1-4H3,(H,10,11,12,13)
InChIKeyPTLCKYMRSSFLLY-UHFFFAOYSA-N
XLogP-0.14
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate (CID 62859804) is methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate is COC(=O)C(C)Nc1nc(OC)nc(OC)n1.
What is the InChIKey of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
The InChIKey is PTLCKYMRSSFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-5(6(14)15-2)10-7-11-8(16-3)13-9(12-7)17-4/h5H,1-4H3,(H,10,11,12,13).
What are the key properties of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate?
methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate has a molecular weight of 242.23 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate is sourced from PubChem (CID 62859804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).