(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione

C11H18N4O3 — CID 7367053

IUPAC(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)CCC/N=C/[C@@H]1C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C11H18N4O3/c1-14(2)6-4-5-12-7-8-9(16)13-11(18)15(3)10(8)17/h7-8H,4-6H2,1-3H3,(H,13,16,18)/b12-7+/t8-/m1/s1
InChIKeyVSZGBHBPNAYGMH-LQGZHCLWSA-N
MW254.29 g/mol
LogP-0.67
Rot. Bonds5

About (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione

(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 7367053) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione
PubChem CID7367053
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)CCC/N=C/[C@@H]1C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C11H18N4O3/c1-14(2)6-4-5-12-7-8-9(16)13-11(18)15(3)10(8)17/h7-8H,4-6H2,1-3H3,(H,13,16,18)/b12-7+/t8-/m1/s1
InChIKeyVSZGBHBPNAYGMH-LQGZHCLWSA-N
XLogP-0.67
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione (CID 7367053) is (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione is CN(C)CCC/N=C/[C@@H]1C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VSZGBHBPNAYGMH-LQGZHCLWSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14(2)6-4-5-12-7-8-9(16)13-11(18)15(3)10(8)17/h7-8H,4-6H2,1-3H3,(H,13,16,18)/b12-7+/t8-/m1/s1.
What are the key properties of (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione?
(5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 254.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(dimethylamino)propyliminomethyl]-1-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).