(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium

C6H11N4O2+ — CID 59127878

IUPAC(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium
SMILESCN1C(=[NH2+])C(N)C(=O)N(C)C1=O
InChIInChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h3,8H,7H2,1-2H3/p+1
InChIKeyLBUNLNCSEJXOIL-UHFFFAOYSA-O
MW171.18 g/mol
LogP-3.00
Rot. Bonds

About (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium

(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium (PubChem CID 59127878) has the molecular formula C6H11N4O2+ and a molecular weight of 171.18 g/mol. Its IUPAC name is (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium.

Molecular Properties

Compound Name(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium
PubChem CID59127878
Molecular FormulaC6H11N4O2+
Molecular Weight171.18 g/mol
Exact Mass171.09
IUPAC Name(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium
SMILESCN1C(=[NH2+])C(N)C(=O)N(C)C1=O
InChIInChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h3,8H,7H2,1-2H3/p+1
InChIKeyLBUNLNCSEJXOIL-UHFFFAOYSA-O
XLogP-3.00
TPSA92.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 5-3.00
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

2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-hydrazino-5-nitroso-
CID 9578723
Dihydro-6-imino-1,3-dimethyluracil
CID 87278
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
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
1,3-dimethyl-5H-purine-2,6-dione
CID 73684867
3-[2-(Dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
CID 140537498
5-(Ethylamino)-6-imino-3-methyl-1,3-diazinane-2,4-dione
CID 173382650
2-[[1-[2-(Dimethylamino)ethyl]-4-imino-2,6-dioxo-1,3-diazinan-5-yl]amino]acetaldehyde
CID 173382658
CID 217995
CID 217995
(5-Amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium
CID 71650988
1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 73066030

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
The IUPAC name of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium (CID 59127878) is (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium.
What is the SMILES notation for (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
The canonical SMILES for (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium is CN1C(=[NH2+])C(N)C(=O)N(C)C1=O.
What is the InChIKey of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
The InChIKey is LBUNLNCSEJXOIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h3,8H,7H2,1-2H3/p+1.
What are the key properties of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium has a molecular weight of 171.18 g/mol, XLogP of -3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)azanium is sourced from PubChem (CID 59127878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).