acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium

C10H10N5O4+ — CID 75094859

IUPACacetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium
SMILESCC(=O)/[NH+]=C1\N=c2c(c(=O)n(C)c(=O)n2C)=NC1=O
InChIInChI=1S/C10H9N5O4/c1-4(16)11-6-8(17)12-5-7(13-6)14(2)10(19)15(3)9(5)18/h1-3H3/p+1/b11-6-
InChIKeyNCEYXNNJEVBVOJ-WDZFZDKYSA-O
MW264.22 g/mol
LogP-5.11
Rot. Bonds

About acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium

acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium (PubChem CID 75094859) has the molecular formula C10H10N5O4+ and a molecular weight of 264.22 g/mol. Its IUPAC name is acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium.

Molecular Properties

Compound Nameacetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium
PubChem CID75094859
Molecular FormulaC10H10N5O4+
Molecular Weight264.22 g/mol
Exact Mass264.07
IUPAC Nameacetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium
SMILESCC(=O)/[NH+]=C1\N=c2c(c(=O)n(C)c(=O)n2C)=NC1=O
InChIInChI=1S/C10H9N5O4/c1-4(16)11-6-8(17)12-5-7(13-6)14(2)10(19)15(3)9(5)18/h1-3H3/p+1/b11-6-
InChIKeyNCEYXNNJEVBVOJ-WDZFZDKYSA-O
XLogP-5.11
TPSA116.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 5-5.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-(methylamino)-2,3,6,7-tetrahydropteridin-4-one
CID 53767476
1,3-dimethyl-6H-pteridine-2,4,7-trione
CID 134891836
(3S)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione
CID 6967413
(3R)-3-ethyl-3,5,7-trimethylpyrimido[5,4-c][1,2,5]oxadiazin-4-ium-6,8-dione
CID 6967414
N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)ethanimidamide
CID 76852009
N-(4-imino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-ylidene)ethanimidamide
CID 76852010
(1,3-Dimethyl-2,6-dioxopurin-8-ylidene)-ethylazanium
CID 78175514
1,3-Dimethylpteridine-2,4,6,7-tetrone
CID 86280395
N-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)acetamide
CID 136263030
N-(4-formylimino-1-methyl-2,6-dioxo-1,3-diazinan-5-ylidene)acetamide
CID 136274637

Frequently Asked Questions

What is the IUPAC name of acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium?
The IUPAC name of acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium (CID 75094859) is acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium.
What is the SMILES notation for acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium?
The canonical SMILES for acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium is CC(=O)/[NH+]=C1\N=c2c(c(=O)n(C)c(=O)n2C)=NC1=O.
What is the InChIKey of acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium?
The InChIKey is NCEYXNNJEVBVOJ-WDZFZDKYSA-O. The full InChI is InChI=1S/C10H9N5O4/c1-4(16)11-6-8(17)12-5-7(13-6)14(2)10(19)15(3)9(5)18/h1-3H3/p+1/b11-6-.
What are the key properties of acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium?
acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium has a molecular weight of 264.22 g/mol, XLogP of -5.11, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-(1,3-dimethyl-2,4,6-trioxopteridin-7-ylidene)azanium is sourced from PubChem (CID 75094859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).