2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid

C8H13N5O3 — CID 12641791

IUPAC2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
SMILESCNc1nc(OCC(=O)O)nc(N(C)C)n1
InChIInChI=1S/C8H13N5O3/c1-9-6-10-7(13(2)3)12-8(11-6)16-4-5(14)15/h4H2,1-3H3,(H,14,15)(H,9,10,11,12)
InChIKeyCNHLOOANQOXGGS-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.56
Rot. Bonds5

About 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid

2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid (PubChem CID 12641791) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
PubChem CID12641791
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
SMILESCNc1nc(OCC(=O)O)nc(N(C)C)n1
InChIInChI=1S/C8H13N5O3/c1-9-6-10-7(13(2)3)12-8(11-6)16-4-5(14)15/h4H2,1-3H3,(H,14,15)(H,9,10,11,12)
InChIKeyCNHLOOANQOXGGS-UHFFFAOYSA-N
XLogP-0.56
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine
CID 80861381
6-(2-cyclobutylethoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 106207650
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 102723624
2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80860494
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 80785242
N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]acetamide
CID 766782
6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80873893
2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
CID 80821043
N-cyclopropyl-2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 80820491
6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80874464

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid (CID 12641791) is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid is CNc1nc(OCC(=O)O)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid?
The InChIKey is CNHLOOANQOXGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-9-6-10-7(13(2)3)12-8(11-6)16-4-5(14)15/h4H2,1-3H3,(H,14,15)(H,9,10,11,12).
What are the key properties of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid?
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid has a molecular weight of 227.22 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid is sourced from PubChem (CID 12641791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).