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

C7H13N4O2+ — CID 71650988

IUPAC(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium
SMILESC/[NH+]=C1/C(N)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C7H12N4O2/c1-9-5-4(8)6(12)11(3)7(13)10(5)2/h4H,8H2,1-3H3/p+1/b9-5-
InChIKeyLUSCDINQGCUZPR-UITAMQMPSA-O
MW185.21 g/mol
LogP-3.05
Rot. Bonds

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

(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium (PubChem CID 71650988) has the molecular formula C7H13N4O2+ and a molecular weight of 185.21 g/mol. Its IUPAC name is (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium.

Molecular Properties

Compound Name(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium
PubChem CID71650988
Molecular FormulaC7H13N4O2+
Molecular Weight185.21 g/mol
Exact Mass185.10
IUPAC Name(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium
SMILESC/[NH+]=C1/C(N)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C7H12N4O2/c1-9-5-4(8)6(12)11(3)7(13)10(5)2/h4H,8H2,1-3H3/p+1/b9-5-
InChIKeyLUSCDINQGCUZPR-UITAMQMPSA-O
XLogP-3.05
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-3.05
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

(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
5,7-dihydro-1H-purine-2,6,8(9H)-trione
CID 24771781
(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
1-Methyl-6-propan-2-ylimino-1,3-diazinane-2,4-dione
CID 145924383
6-Imino-3-methyl-5-nitroso-1,3-diazinane-2,4-dione
CID 137698321
1-Methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one
CID 54233822
2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 54537290
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
1,3-dimethyl-5H-purine-2,6-dione
CID 73684867

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium?
The IUPAC name of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium (CID 71650988) is (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium.
What is the SMILES notation for (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium?
The canonical SMILES for (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium is C/[NH+]=C1/C(N)C(=O)N(C)C(=O)N1C.
What is the InChIKey of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium?
The InChIKey is LUSCDINQGCUZPR-UITAMQMPSA-O. The full InChI is InChI=1S/C7H12N4O2/c1-9-5-4(8)6(12)11(3)7(13)10(5)2/h4H,8H2,1-3H3/p+1/b9-5-.
What are the key properties of (5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium?
(5-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium has a molecular weight of 185.21 g/mol, XLogP of -3.05, 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)-methylazanium is sourced from PubChem (CID 71650988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).