4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid

C8H13N5O2 — CID 611123

IUPAC4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C8H13N5O2/c1-12(2)7-9-5(6(14)15)10-8(11-7)13(3)4/h1-4H3,(H,14,15)
InChIKeyRNSXHHPWGCFSSU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.30
Rot. Bonds3

About 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid

4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid (PubChem CID 611123) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid
PubChem CID611123
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid
SMILESCN(C)c1nc(C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C8H13N5O2/c1-12(2)7-9-5(6(14)15)10-8(11-7)13(3)4/h1-4H3,(H,14,15)
InChIKeyRNSXHHPWGCFSSU-UHFFFAOYSA-N
XLogP-0.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid (CID 611123) is 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid is CN(C)c1nc(C(=O)O)nc(N(C)C)n1.
What is the InChIKey of 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid?
The InChIKey is RNSXHHPWGCFSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-12(2)7-9-5(6(14)15)10-8(11-7)13(3)4/h1-4H3,(H,14,15).
What are the key properties of 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid?
4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 611123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).