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

C11H19N3O2 — CID 140872326

IUPAC6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(C)C(=O)C1(CCC)CCC
InChIInChI=1S/C11H19N3O2/c1-4-6-11(7-5-2)8(12)13-10(16)14(3)9(11)15/h4-7H2,1-3H3,(H2,12,13,16)
InChIKeyAFTVHUGIYSCSIX-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.73
Rot. Bonds4

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

6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione (PubChem CID 140872326) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione
PubChem CID140872326
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(C)C(=O)C1(CCC)CCC
InChIInChI=1S/C11H19N3O2/c1-4-6-11(7-5-2)8(12)13-10(16)14(3)9(11)15/h4-7H2,1-3H3,(H2,12,13,16)
InChIKeyAFTVHUGIYSCSIX-UHFFFAOYSA-N
XLogP1.73
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.73
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

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
2,4(1H,3H)-Pyrimidinedione, 5,5-diethyldihydro-6-imino-1-methyl-
CID 785092
Barbituric acid, 5-butyl-5-ethyl-1-methyl-
CID 20277
Barbituric acid, 5-ethyl-1-methyl-5-propyl-
CID 43605
Barbituric acid, 5-ethyl-5-isobutyl-1-methyl-
CID 48754
5-Sec-butyl-5-ethyl-6-iminodihydro-2,4(1H,3H)-pyrimidinedione
CID 138112059
6-Amino-5-ethyl-5-(1-methylbutyl)-2,4(3H,5H)-pyrimidinedione
CID 138987958
5,5-dibutyl-6-imino-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione
CID 3108413
1-Butyl-5,5-diethyl-6-imino-1,3-diazinane-2,4-dione
CID 2834663
2,4(3H,5H)-Pyrimidinedione,6-amino-5-ethyl-5-propyl-
CID 138111717
6-Imino-5,5-dipropyldihydro-2,4(1H,3H)-pyrimidinedione
CID 138111919

Frequently Asked Questions

What is the IUPAC name of 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione (CID 140872326) is 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione is [H]/N=C1\NC(=O)N(C)C(=O)C1(CCC)CCC.
What is the InChIKey of 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
The InChIKey is AFTVHUGIYSCSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-11(7-5-2)8(12)13-10(16)14(3)9(11)15/h4-7H2,1-3H3,(H2,12,13,16).
What are the key properties of 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione?
6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 140872326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).