2,5-diamino-1,4-dioxane-2,5-dicarboxamide

C6H12N4O4 — CID 163541428

IUPAC2,5-diamino-1,4-dioxane-2,5-dicarboxamide
SMILESNC(=O)C1(N)COC(N)(C(N)=O)CO1
InChIInChI=1S/C6H12N4O4/c7-3(11)5(9)1-13-6(10,2-14-5)4(8)12/h1-2,9-10H2,(H2,7,11)(H2,8,12)
InChIKeyFBKFRWQGWQKCDP-UHFFFAOYSA-N
MW204.19 g/mol
LogP-3.69
Rot. Bonds2

About 2,5-diamino-1,4-dioxane-2,5-dicarboxamide

2,5-diamino-1,4-dioxane-2,5-dicarboxamide (PubChem CID 163541428) has the molecular formula C6H12N4O4 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2,5-diamino-1,4-dioxane-2,5-dicarboxamide.

Molecular Properties

Compound Name2,5-diamino-1,4-dioxane-2,5-dicarboxamide
PubChem CID163541428
Molecular FormulaC6H12N4O4
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name2,5-diamino-1,4-dioxane-2,5-dicarboxamide
SMILESNC(=O)C1(N)COC(N)(C(N)=O)CO1
InChIInChI=1S/C6H12N4O4/c7-3(11)5(9)1-13-6(10,2-14-5)4(8)12/h1-2,9-10H2,(H2,7,11)(H2,8,12)
InChIKeyFBKFRWQGWQKCDP-UHFFFAOYSA-N
XLogP-3.69
TPSA156.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-3.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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2-carbamoyl-1,4-dioxane-2-carboxylic acid
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2,3-diamino-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3-dicarboxylic acid
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2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide
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3-(1-aminocyclopropyl)prop-2-enamide
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(4S)-4-carbamoyl-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylic acid
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1-(3-aminooxolan-3-yl)ethanone
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3-fluorooxolane-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-1,4-dioxane-2,5-dicarboxamide?
The IUPAC name of 2,5-diamino-1,4-dioxane-2,5-dicarboxamide (CID 163541428) is 2,5-diamino-1,4-dioxane-2,5-dicarboxamide.
What is the SMILES notation for 2,5-diamino-1,4-dioxane-2,5-dicarboxamide?
The canonical SMILES for 2,5-diamino-1,4-dioxane-2,5-dicarboxamide is NC(=O)C1(N)COC(N)(C(N)=O)CO1.
What is the InChIKey of 2,5-diamino-1,4-dioxane-2,5-dicarboxamide?
The InChIKey is FBKFRWQGWQKCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O4/c7-3(11)5(9)1-13-6(10,2-14-5)4(8)12/h1-2,9-10H2,(H2,7,11)(H2,8,12).
What are the key properties of 2,5-diamino-1,4-dioxane-2,5-dicarboxamide?
2,5-diamino-1,4-dioxane-2,5-dicarboxamide has a molecular weight of 204.19 g/mol, XLogP of -3.69, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-1,4-dioxane-2,5-dicarboxamide is sourced from PubChem (CID 163541428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).