(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium

C7H9N6O2+ — CID 137270785

IUPAC(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium
SMILESCn1c(=O)c2[nH]c(N=[NH2+])nc2n(C)c1=O
InChIInChI=1S/C7H8N6O2/c1-12-4-3(9-6(10-4)11-8)5(14)13(2)7(12)15/h8H,1-2H3,(H,9,10)/p+1
InChIKeyWAXDIPJGVKVRIT-UHFFFAOYSA-O
MW209.19 g/mol
LogP-2.20
Rot. Bonds1

About (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium

(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium (PubChem CID 137270785) has the molecular formula C7H9N6O2+ and a molecular weight of 209.19 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium
PubChem CID137270785
Molecular FormulaC7H9N6O2+
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC Name(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium
SMILESCn1c(=O)c2[nH]c(N=[NH2+])nc2n(C)c1=O
InChIInChI=1S/C7H8N6O2/c1-12-4-3(9-6(10-4)11-8)5(14)13(2)7(12)15/h8H,1-2H3,(H,9,10)/p+1
InChIKeyWAXDIPJGVKVRIT-UHFFFAOYSA-O
XLogP-2.20
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-2.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

8-ethoxy-1,3-dimethyl-7H-purine-2,6-dione
CID 14920513
8-(2,2-dimethylpropylsulfanyl)-1,3-dimethyl-7H-purine-2,6-dione
CID 44722449
1,3-dimethyl-8-[(E)-prop-1-enyl]-7H-purine-2,6-dione
CID 5380636
8-[(3,4-dimethylanilino)diazenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 4525125
1,3-dimethyl-8-[(E)-(2-methylpiperidin-1-yl)diazenyl]-7H-purine-2,6-dione
CID 135408719
8-[1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 3056912
1,3-dimethyl-8-(2-propoxyethyl)-7H-purine-2,6-dione
CID 90447937
2-acetamido-3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)diazenyl]sulfanylpropanoic acid
CID 3555222
8-(2,2-dimethylpropylamino)-1,3-dimethyl-7H-purine-2,6-dione
CID 61167628
8-(1-aminopropyl)-1,3-dimethyl-7H-purine-2,6-dione
CID 11776306
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetaldehyde
CID 3553591
1,3-dimethyl-8-(pent-1-yn-3-ylamino)-7H-purine-2,6-dione
CID 106231256

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium?
The IUPAC name of (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium (CID 137270785) is (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium?
The canonical SMILES for (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium is Cn1c(=O)c2[nH]c(N=[NH2+])nc2n(C)c1=O.
What is the InChIKey of (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium?
The InChIKey is WAXDIPJGVKVRIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N6O2/c1-12-4-3(9-6(10-4)11-8)5(14)13(2)7(12)15/h8H,1-2H3,(H,9,10)/p+1.
What are the key properties of (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium?
(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium has a molecular weight of 209.19 g/mol, XLogP of -2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)iminoazanium is sourced from PubChem (CID 137270785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).