(5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

C18H21N3O4 — CID 7462035

IUPAC(5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\C[C@H]1CCCO1)[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C18H21N3O4/c1-11-6-3-4-8-14(11)21-17(23)15(16(22)20-18(21)24)12(2)19-10-13-7-5-9-25-13/h3-4,6,8,13,15H,5,7,9-10H2,1-2H3,(H,20,22,24)/b19-12+/t13-,15-/m1/s1
InChIKeyUIHIWRONLLFOGD-JMPAWAFNSA-N
MW343.38 g/mol
LogP1.83
Rot. Bonds4

About (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

(5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7462035) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID7462035
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\C[C@H]1CCCO1)[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C18H21N3O4/c1-11-6-3-4-8-14(11)21-17(23)15(16(22)20-18(21)24)12(2)19-10-13-7-5-9-25-13/h3-4,6,8,13,15H,5,7,9-10H2,1-2H3,(H,20,22,24)/b19-12+/t13-,15-/m1/s1
InChIKeyUIHIWRONLLFOGD-JMPAWAFNSA-N
XLogP1.83
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-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

Related Compounds

1-benzyl-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7505819
(5S)-1-(2-methylphenyl)-5-[C-methyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7506316
(5R)-1-(2-methylphenyl)-5-[C-methyl-N-[(1R)-1-phenylethyl]carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7462003
1,3-dimethyl-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7462065
1,3-dimethyl-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7462066
5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7461320
5-[C-ethyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7509797
(5R)-1-(3,4-dimethylphenyl)-5-[[(2S)-oxolan-2-yl]methyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 6956073
1-benzyl-6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 937936
6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 933886
2-(4-fluorophenyl)-5-methyl-4-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]-1H-pyrazol-3-one
CID 136755568
5-(butyliminomethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 7029545

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (CID 7462035) is (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is C/C(=N\C[C@H]1CCCO1)[C@@H]1C(=O)NC(=O)N(c2ccccc2C)C1=O.
What is the InChIKey of (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is UIHIWRONLLFOGD-JMPAWAFNSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-6-3-4-8-14(11)21-17(23)15(16(22)20-18(21)24)12(2)19-10-13-7-5-9-25-13/h3-4,6,8,13,15H,5,7,9-10H2,1-2H3,(H,20,22,24)/b19-12+/t13-,15-/m1/s1.
What are the key properties of (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione?
(5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 343.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[C-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbonimidoyl]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7462035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).