1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide

C8H14N4O3 — CID 2765656

IUPAC1-(2-methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide
SMILESCOCCN1CC(C(=O)NC1=O)C(=N)N
InChIInChI=1S/C8H14N4O3/c1-15-3-2-12-4-5(6(9)10)7(13)11-8(12)14/h5H,2-4H2,1H3,(H3,9,10)(H,11,13,14)
InChIKeyCCGMYOSSHNIRNN-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.30
Rot. Bonds4

About 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide

1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide (PubChem CID 2765656) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide.

Molecular Properties

Compound Name1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide
PubChem CID2765656
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name1-(2-methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide
SMILESCOCCN1CC(C(=O)NC1=O)C(=N)N
InChIInChI=1S/C8H14N4O3/c1-15-3-2-12-4-5(6(9)10)7(13)11-8(12)14/h5H,2-4H2,1H3,(H3,9,10)(H,11,13,14)
InChIKeyCCGMYOSSHNIRNN-UHFFFAOYSA-N
XLogP-1.30
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity292

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The IUPAC name of 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide (CID 2765656) is 1-(2-methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide.
What is the SMILES notation for 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The canonical SMILES for 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide is COCCN1CC(C(=O)NC1=O)C(=N)N.
What is the InChIKey of 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The InChIKey is CCGMYOSSHNIRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-15-3-2-12-4-5(6(9)10)7(13)11-8(12)14/h5H,2-4H2,1H3,(H3,9,10)(H,11,13,14).
What are the key properties of 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide?
1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide has a molecular weight of 214.22 g/mol, XLogP of -1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Methoxyethyl)-2,4-dioxo-1,3-diazinane-5-carboximidamide is sourced from PubChem (CID 2765656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).