methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate

C10H17N5O3 — CID 80778176

IUPACmethyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCCNc1nc(NCC(=O)OC)nc(OC)n1
InChIInChI=1S/C10H17N5O3/c1-4-5-11-8-13-9(12-6-7(16)17-2)15-10(14-8)18-3/h4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyUIBHNVGHLFREHJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.29
Rot. Bonds7

About methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate

methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 80778176) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID80778176
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCCNc1nc(NCC(=O)OC)nc(OC)n1
InChIInChI=1S/C10H17N5O3/c1-4-5-11-8-13-9(12-6-7(16)17-2)15-10(14-8)18-3/h4-6H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyUIBHNVGHLFREHJ-UHFFFAOYSA-N
XLogP0.29
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Related Compounds

2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80787956
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate (CID 80778176) is methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate is CCCNc1nc(NCC(=O)OC)nc(OC)n1.
What is the InChIKey of methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is UIBHNVGHLFREHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-4-5-11-8-13-9(12-6-7(16)17-2)15-10(14-8)18-3/h4-6H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate?
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 255.28 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 80778176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).