6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione

C9H15N3O2 — CID 165416593

IUPAC6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1/C(CCC)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-
InChIKeyHYOCAKGKTNODNY-YFHOEESVSA-N
MW197.24 g/mol
LogP0.90
Rot. Bonds2

About 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione

6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione (PubChem CID 165416593) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
PubChem CID165416593
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1/C(CCC)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-
InChIKeyHYOCAKGKTNODNY-YFHOEESVSA-N
XLogP0.90
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4(1H,3H)-Pyrimidinedione, 5,5-diethyldihydro-6-imino-1-methyl-
CID 785092
5,5-dibutyl-6-imino-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione
CID 3108413
6-Imino-5-[1-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)ethyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 145918452
5-Ethyl-6-imino-1-methyl-5-propyl-hexahydro-pyrimidine-2,4-dione
CID 593031
6-Imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione
CID 6611688
5,5-Diethyl-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 12418518
6-Imino-3-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione
CID 140872326
6-Imino-1-methyl-5,5-bis(2-methylpropyl)-1,3-diazinane-2,4-dione
CID 6611735
6-Imino-1,3-dimethyl-5,5-dipropyl-1,3-diazinane-2,4-dione;hydrochloride
CID 45926726
5-sec-butyl-5-ethyl-6-imino-1-methyldihydro-2,4(1H,3H)-pyrimidinedione
CID 56690465
6-Imino-1-methyl-5,5-dipropyl-1,3-diazinane-2,4-dione
CID 71676031
[5-(2-Cyanoacetyl)-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene]azanium
CID 77520276

Frequently Asked Questions

What is the IUPAC name of 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione (CID 165416593) is 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione is [H]/N=C1/C(CCC)C(=O)N(C)C(=O)N1C.
What is the InChIKey of 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione?
The InChIKey is HYOCAKGKTNODNY-YFHOEESVSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-6-7(10)11(2)9(14)12(3)8(6)13/h6,10H,4-5H2,1-3H3/b10-7-.
What are the key properties of 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione?
6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1,3-dimethyl-5-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165416593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).