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

C7H10N4O4 — CID 59889573

IUPAC2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid
SMILESCN(C)c1nc(=O)[nH]c(=O)n1CC(=O)O
InChIInChI=1S/C7H10N4O4/c1-10(2)6-8-5(14)9-7(15)11(6)3-4(12)13/h3H2,1-2H3,(H,12,13)(H,9,14,15)
InChIKeyPLDOGSYESWTPRE-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.92
Rot. Bonds3

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

2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid (PubChem CID 59889573) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid
PubChem CID59889573
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid
SMILESCN(C)c1nc(=O)[nH]c(=O)n1CC(=O)O
InChIInChI=1S/C7H10N4O4/c1-10(2)6-8-5(14)9-7(15)11(6)3-4(12)13/h3H2,1-2H3,(H,12,13)(H,9,14,15)
InChIKeyPLDOGSYESWTPRE-UHFFFAOYSA-N
XLogP-1.92
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid?
The IUPAC name of 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid (CID 59889573) is 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid is CN(C)c1nc(=O)[nH]c(=O)n1CC(=O)O.
What is the InChIKey of 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid?
The InChIKey is PLDOGSYESWTPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-10(2)6-8-5(14)9-7(15)11(6)3-4(12)13/h3H2,1-2H3,(H,12,13)(H,9,14,15).
What are the key properties of 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid?
2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid has a molecular weight of 214.18 g/mol, XLogP of -1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-2,4-dioxo-1,3,5-triazin-1-yl]acetic acid is sourced from PubChem (CID 59889573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).