1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium

C8H12N5O2+ — CID 76852009

IUPAC1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium
SMILES[H]/N=C1C(=N/C(C)=[NH2+])/C(=O)N(C)C(=O)N/1C
InChIInChI=1S/C8H11N5O2/c1-4(9)11-5-6(10)12(2)8(15)13(3)7(5)14/h9-10H,1-3H3/p+1/b9-4?,10-6-,11-5-
InChIKeyCLQBAEGMAPKXCD-DKQRGPSRSA-O
MW210.22 g/mol
LogP-1.89
Rot. Bonds

About 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium

1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium (PubChem CID 76852009) has the molecular formula C8H12N5O2+ and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium.

Molecular Properties

Compound Name1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium
PubChem CID76852009
Molecular FormulaC8H12N5O2+
Molecular Weight210.22 g/mol
Exact Mass210.10
IUPAC Name1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium
SMILES[H]/N=C1C(=N/C(C)=[NH2+])/C(=O)N(C)C(=O)N/1C
InChIInChI=1S/C8H11N5O2/c1-4(9)11-5-6(10)12(2)8(15)13(3)7(5)14/h9-10H,1-3H3/p+1/b9-4?,10-6-,11-5-
InChIKeyCLQBAEGMAPKXCD-DKQRGPSRSA-O
XLogP-1.89
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Xanthine, 1,3,8,8-tetramethyl-
CID 120343
Dihydro-6-imino-1,3-dimethyluracil
CID 87278
Dimethylpropylxanthine
CID 129735825
1-Methyl-6-propan-2-ylimino-1,3-diazinane-2,4-dione
CID 145924383
6-Imino-1-methyl-1,3-diazinane-2,4-dione
CID 14483225
5,6-Diamino-1,3-dimethyl-2,4-pyrimidinedione; 5,6-Diamino-1,3-dimethyluracil
CID 59127878
1,3,4,8-Tetramethylpurine-2,6-dione
CID 67505348
3-[2-(Dimethylamino)ethyl]-6-imino-1,3-diazinane-2,4-dione
CID 140537498
6-Imino-3-methyl-1,3-diazinane-2,4-dione
CID 145724178
(6E)-6-hydrazinylidene-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 21117207
(5-Imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)cyanamide
CID 21857658
8-Ethyl-1,3,8-trimethylpurine-2,6-dione
CID 24103667

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium?
The IUPAC name of 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium (CID 76852009) is 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium.
What is the SMILES notation for 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium?
The canonical SMILES for 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium is [H]/N=C1C(=N/C(C)=[NH2+])/C(=O)N(C)C(=O)N/1C.
What is the InChIKey of 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium?
The InChIKey is CLQBAEGMAPKXCD-DKQRGPSRSA-O. The full InChI is InChI=1S/C8H11N5O2/c1-4(9)11-5-6(10)12(2)8(15)13(3)7(5)14/h9-10H,1-3H3/p+1/b9-4?,10-6-,11-5-.
What are the key properties of 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium?
1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium has a molecular weight of 210.22 g/mol, XLogP of -1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)amino]ethylideneazanium is sourced from PubChem (CID 76852009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).