5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione

C9H15N3O2 — CID 785092

IUPAC5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC)CC
InChIInChI=1S/C9H15N3O2/c1-4-9(5-2)6(10)12(3)8(14)11-7(9)13/h10H,4-5H2,1-3H3,(H,11,13,14)/b10-6-
InChIKeyIBQVOKYDVAXLDM-POHAHGRESA-N
MW197.24 g/mol
LogP0.95
Rot. Bonds2

About 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione

5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 785092) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
PubChem CID785092
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\N(C)C(=O)NC(=O)C1(CC)CC
InChIInChI=1S/C9H15N3O2/c1-4-9(5-2)6(10)12(3)8(14)11-7(9)13/h10H,4-5H2,1-3H3,(H,11,13,14)/b10-6-
InChIKeyIBQVOKYDVAXLDM-POHAHGRESA-N
XLogP0.95
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Metharbital
CID 4099
5,5-Diethyl-3-methyl-6-methylimino-hexahydro-pyrimidine-2,4-dione
CID 135408857
1-butyl-5,5-diethyl-6-iminodihydro-2,4(1H,3H)-pyrimidinedione hydrochloride
CID 2834662
5,5-Diethyl-6-imino-1,3-diazinane-2,4-dione
CID 145921276
5,5-dibutyl-6-imino-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione
CID 3108413
1-butyl-5,5-diethyl-6-iminodihydropyrimidine-2,4(1H,3H)-dione
CID 2834663
5-Ethyl-6-imino-5-propyldihydro-2,4(1H,3H)-pyrimidinedione
CID 138111717
6-Imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
CID 165416593
5,5-Dibutyl-6-imino-1-methyl-1,3-diazinane-2,4-dione
CID 3108412
5,5-Dibutyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione;hydrochloride
CID 44827771
1-Butyl-5,5-diethyl-6-imino-1,3-diazinane-2,4-dione chloride
CID 53347137
6-Butylimino-5,5-diethyl-1,3-diazinane-2,4-dione
CID 136130355

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione (CID 785092) is 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione is [H]/N=C1\N(C)C(=O)NC(=O)C1(CC)CC.
What is the InChIKey of 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is IBQVOKYDVAXLDM-POHAHGRESA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-9(5-2)6(10)12(3)8(14)11-7(9)13/h10H,4-5H2,1-3H3,(H,11,13,14)/b10-6-.
What are the key properties of 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione?
5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-6-imino-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 785092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).