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

C7H12N4O2 — CID 138059552

IUPAC5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(CCC)C(=O)C1N
InChIInChI=1S/C7H12N4O2/c1-2-3-11-6(12)4(8)5(9)10-7(11)13/h4H,2-3,8H2,1H3,(H2,9,10,13)
InChIKeyVSPTWCZRNWBWOK-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.75
Rot. Bonds2

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

5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione (PubChem CID 138059552) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione
PubChem CID138059552
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione
SMILES[H]/N=C1\NC(=O)N(CCC)C(=O)C1N
InChIInChI=1S/C7H12N4O2/c1-2-3-11-6(12)4(8)5(9)10-7(11)13/h4H,2-3,8H2,1H3,(H2,9,10,13)
InChIKeyVSPTWCZRNWBWOK-UHFFFAOYSA-N
XLogP-0.75
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
Fluoro 2-[(4-imino-2,6-dioxo-1-propyl-1,3-diazinan-5-yl)amino]acetate
CID 143895771
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
6-Imino-3-methyl-5-nitroso-1,3-diazinane-2,4-dione
CID 137698321
8,9-dimethyl-4,5-dihydro-3H-purine-2,6-dione
CID 58099827
5,6-Diamino-1,3-dimethyl-2,4-pyrimidinedione; 5,6-Diamino-1,3-dimethyluracil
CID 59127878
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
6-Amino-5-ethylamino-1-methyluracil
CID 72738027
5-Amino-1-methyl-6-(methylamino)-1,3-diazinane-2,4-dione
CID 73189472
7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 89239855
4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 129632103

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione (CID 138059552) is 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione is [H]/N=C1\NC(=O)N(CCC)C(=O)C1N.
What is the InChIKey of 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione?
The InChIKey is VSPTWCZRNWBWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-3-11-6(12)4(8)5(9)10-7(11)13/h4H,2-3,8H2,1H3,(H2,9,10,13).
What are the key properties of 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione?
5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione has a molecular weight of 184.20 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-imino-3-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138059552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).