5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C12H19N3O4 — CID 7460784

IUPAC5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCCO)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C12H19N3O4/c1-4-8(13-6-5-7-16)9-10(17)14(2)12(19)15(3)11(9)18/h9,16H,4-7H2,1-3H3/b13-8+
InChIKeySYECUUQZOWGOAC-MDWZMJQESA-N
MW269.30 g/mol
LogP-0.11
Rot. Bonds5

About 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7460784) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7460784
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCCO)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C12H19N3O4/c1-4-8(13-6-5-7-16)9-10(17)14(2)12(19)15(3)11(9)18/h9,16H,4-7H2,1-3H3/b13-8+
InChIKeySYECUUQZOWGOAC-MDWZMJQESA-N
XLogP-0.11
TPSA90.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.11
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'}

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Related Compounds

5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7358786
5-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7369861
5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461419
1-cyclohexyl-5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461606
(5R)-1-butyl-5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461620
5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7461731
(5R)-1-butyl-5-[N-(3-hydroxypropyl)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461735
(5R)-1-butyl-5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461884

Frequently Asked Questions

What is the IUPAC name of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7460784) is 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC/C(=N\CCCO)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SYECUUQZOWGOAC-MDWZMJQESA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-8(13-6-5-7-16)9-10(17)14(2)12(19)15(3)11(9)18/h9,16H,4-7H2,1-3H3/b13-8+.
What are the key properties of 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 269.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(3-hydroxypropyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7460784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).