1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide

C6H10N4O2 — CID 2766696

IUPAC1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
SMILES[H]/N=C(\N)C1CN(C)C(=O)NC1=O
InChIInChI=1S/C6H10N4O2/c1-10-2-3(4(7)8)5(11)9-6(10)12/h3H,2H2,1H3,(H3,7,8)(H,9,11,12)
InChIKeyIXPNQXFRVYWDDI-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.28
Rot. Bonds1

About 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide

1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide (PubChem CID 2766696) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
PubChem CID2766696
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide
SMILES[H]/N=C(\N)C1CN(C)C(=O)NC1=O
InChIInChI=1S/C6H10N4O2/c1-10-2-3(4(7)8)5(11)9-6(10)12/h3H,2H2,1H3,(H3,7,8)(H,9,11,12)
InChIKeyIXPNQXFRVYWDDI-UHFFFAOYSA-N
XLogP-1.28
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The IUPAC name of 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide (CID 2766696) is 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The canonical SMILES for 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide is [H]/N=C(\N)C1CN(C)C(=O)NC1=O.
What is the InChIKey of 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
The InChIKey is IXPNQXFRVYWDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-10-2-3(4(7)8)5(11)9-6(10)12/h3H,2H2,1H3,(H3,7,8)(H,9,11,12).
What are the key properties of 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide?
1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide has a molecular weight of 170.17 g/mol, XLogP of -1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-1,3-diazinane-5-carboximidamide is sourced from PubChem (CID 2766696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).