(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione

C11H17N3O5 — CID 5383382

IUPAC(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)/C(=C/N(CCO)CCO)C1=O
InChIInChI=1S/C11H17N3O5/c1-2-14-10(18)8(9(17)12-11(14)19)7-13(3-5-15)4-6-16/h7,15-16H,2-6H2,1H3,(H,12,17,19)/b8-7-
InChIKeyAIUDZUSDESBNDC-FPLPWBNLSA-N
MW271.27 g/mol
LogP-1.74
Rot. Bonds6

About (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione

(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 5383382) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID5383382
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)/C(=C/N(CCO)CCO)C1=O
InChIInChI=1S/C11H17N3O5/c1-2-14-10(18)8(9(17)12-11(14)19)7-13(3-5-15)4-6-16/h7,15-16H,2-6H2,1H3,(H,12,17,19)/b8-7-
InChIKeyAIUDZUSDESBNDC-FPLPWBNLSA-N
XLogP-1.74
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 566009
2-Hydroxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium
CID 462760
5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}pyrimidine-2,4(1H,3H)-dione
CID 642664
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107482660
N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 107483379
5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 54603578
5-(morpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 12848804
1-[2-Hydroxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propyl]-5-methylpyrimidine-2,4-dione
CID 73672233
(5E)-5-(dimethylaminomethylidene)-1-methyl-1,3-diazinane-2,4,6-trione
CID 89529840
1-(2-Methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 142894564
3-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 162426021

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione (CID 5383382) is (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione is CCN1C(=O)NC(=O)/C(=C/N(CCO)CCO)C1=O.
What is the InChIKey of (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is AIUDZUSDESBNDC-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-2-14-10(18)8(9(17)12-11(14)19)7-13(3-5-15)4-6-16/h7,15-16H,2-6H2,1H3,(H,12,17,19)/b8-7-.
What are the key properties of (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione?
(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 271.27 g/mol, XLogP of -1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 5383382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).