5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C10H13N3O3 — CID 7313217

IUPAC5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/C2CC2)C(=O)N(C)C1=O
InChIInChI=1S/C10H13N3O3/c1-12-8(14)7(5-11-6-3-4-6)9(15)13(2)10(12)16/h5-7H,3-4H2,1-2H3/b11-5+
InChIKeyJVZWDAJNPZIKAZ-VZUCSPMQSA-N
MW223.23 g/mol
LogP-0.11
Rot. Bonds2

About 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7313217) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7313217
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/C2CC2)C(=O)N(C)C1=O
InChIInChI=1S/C10H13N3O3/c1-12-8(14)7(5-11-6-3-4-6)9(15)13(2)10(12)16/h5-7H,3-4H2,1-2H3/b11-5+
InChIKeyJVZWDAJNPZIKAZ-VZUCSPMQSA-N
XLogP-0.11
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-[(E)-5H-tetrazol-5-yliminomethyl]-1,3-diazinane-2,4,6-trione
CID 76328269
1,3-dimethyl-5-(5H-tetrazol-5-yliminomethyl)-1,3-diazinane-2,4,6-trione
CID 172024333
5-(Cyclopentyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7302964
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 6924062
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6944504
5-(Butyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029494
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029533
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 7029620
5-(Hexyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029622
5-(Cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048930
5-(2-Bromoethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7223693
5-[2-(Diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7367958

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7313217) is 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C=N/C2CC2)C(=O)N(C)C1=O.
What is the InChIKey of 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JVZWDAJNPZIKAZ-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-8(14)7(5-11-6-3-4-6)9(15)13(2)10(12)16/h5-7H,3-4H2,1-2H3/b11-5+.
What are the key properties of 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 223.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7313217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).