(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione

C11H19N3O2 — CID 135564835

IUPAC(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)NC(=O)[C@]1(CC)[C@@H](C)CCC
InChIInChI=1S/C11H19N3O2/c1-4-6-7(3)11(5-2)8(12)13-10(16)14-9(11)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16)/t7-,11+/m0/s1
InChIKeyCLQPRFRZKLHZSC-WRWORJQWSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds4

About (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione

(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 135564835) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione
PubChem CID135564835
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)NC(=O)[C@]1(CC)[C@@H](C)CCC
InChIInChI=1S/C11H19N3O2/c1-4-6-7(3)11(5-2)8(12)13-10(16)14-9(11)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16)/t7-,11+/m0/s1
InChIKeyCLQPRFRZKLHZSC-WRWORJQWSA-N
XLogP1.64
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
CID 173189640
5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione
CID 138111717
sodium 5-ethyl-5-[(2R)-pentan-2-yl]pyrimidin-3-ide-2,4,6-trione
CID 23692753
sodium;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;pyridine;acetate
CID 173426943
5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate
CID 3867239
sodium 5-ethyl-4,6-dioxo-5-[(2R)-pentan-2-yl]-1H-pyrimidin-2-olate
CID 23719972
sodium;azane;ethanol;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate
CID 70363119
CID 71308385
CID 71308385
5-ethyl-2-(4-fluorophenyl)imino-5-[(2R)-pentan-2-yl]-1,3-diazinane-4,6-dione
CID 135571219
5-butan-2-yl-5-ethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
CID 56690465
2-(4-chlorophenyl)imino-5-ethyl-5-[(2S)-pentan-2-yl]-1,3-diazinane-4,6-dione
CID 135571218
5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione (CID 135564835) is (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione is [H]/N=C1\NC(=O)NC(=O)[C@]1(CC)[C@@H](C)CCC.
What is the InChIKey of (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is CLQPRFRZKLHZSC-WRWORJQWSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-7(3)11(5-2)8(12)13-10(16)14-9(11)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15,16)/t7-,11+/m0/s1.
What are the key properties of (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione?
(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 135564835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).