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

C12H21N5O2 — CID 606733

IUPAC4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid
SMILESCCN(CC)c1nc(C(=O)O)nc(N(CC)CC)n1
InChIInChI=1S/C12H21N5O2/c1-5-16(6-2)11-13-9(10(18)19)14-12(15-11)17(7-3)8-4/h5-8H2,1-4H3,(H,18,19)
InChIKeyWYDFJCVEFAVNNC-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.26
Rot. Bonds7

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

4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid (PubChem CID 606733) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid
PubChem CID606733
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid
SMILESCCN(CC)c1nc(C(=O)O)nc(N(CC)CC)n1
InChIInChI=1S/C12H21N5O2/c1-5-16(6-2)11-13-9(10(18)19)14-12(15-11)17(7-3)8-4/h5-8H2,1-4H3,(H,18,19)
InChIKeyWYDFJCVEFAVNNC-UHFFFAOYSA-N
XLogP1.26
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxylic acid
CID 943313
2-Hydroxyethyl 4,6-bis(dimethylamino)-1,3,5-triazine-2-carboxylate
CID 662956
Glycine, N-(4,6-bis(dimethylamino)-s-triazin-2-yl)-N-methyl-
CID 47295
4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxylic acid
CID 597486
2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor)
CID 169491024
4-(Ethylamino)-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxylic acid
CID 799661
4,6-Bis(ethylamino)-1,3,5-triazine-2-carboxylate
CID 6922111
4-Amino-6-methyl-1,3,5-triazine-2-carboxylic acid
CID 535605
4,6-Bis(isopropylamino)-1,3,5-triazine-2-carboxylic acid
CID 606950
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carboxylic acid
CID 611123
2-[[4,6-Bis[carboxymethyl(methyl)amino]-1,3,5-triazin-2-yl]-methylamino]acetic acid
CID 14811066
2-[[4-[Bis(carboxymethyl)amino]-6-methyl-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid
CID 21052251

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid (CID 606733) is 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid is CCN(CC)c1nc(C(=O)O)nc(N(CC)CC)n1.
What is the InChIKey of 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid?
The InChIKey is WYDFJCVEFAVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-16(6-2)11-13-9(10(18)19)14-12(15-11)17(7-3)8-4/h5-8H2,1-4H3,(H,18,19).
What are the key properties of 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid?
4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(diethylamino)-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 606733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).