6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione

C11H14N4O2 — CID 58602930

IUPAC6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione
SMILESCN(N)C1CC(=O)N(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H14N4O2/c1-14(12)9-7-10(16)15(11(17)13-9)8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H,13,17)
InChIKeyHPAUCCDRPDARJX-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.26
Rot. Bonds2

About 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione

6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione (PubChem CID 58602930) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione
PubChem CID58602930
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione
SMILESCN(N)C1CC(=O)N(c2ccccc2)C(=O)N1
InChIInChI=1S/C11H14N4O2/c1-14(12)9-7-10(16)15(11(17)13-9)8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H,13,17)
InChIKeyHPAUCCDRPDARJX-UHFFFAOYSA-N
XLogP0.26
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione (CID 58602930) is 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione is CN(N)C1CC(=O)N(c2ccccc2)C(=O)N1.
What is the InChIKey of 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is HPAUCCDRPDARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14(12)9-7-10(16)15(11(17)13-9)8-5-3-2-4-6-8/h2-6,9H,7,12H2,1H3,(H,13,17).
What are the key properties of 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione?
6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(methyl)amino]-3-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 58602930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).