(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium

C8H12N3O2+ — CID 135965685

IUPAC(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium
SMILESCc1nc(O)c(C=[N+](C)C)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-9-7(12)6(4-11(2)3)8(13)10-5/h4H,1-3H3,(H,9,10,12,13)/p+1
InChIKeyVHDKJGZBFWUDET-UHFFFAOYSA-O
MW182.20 g/mol
LogP-0.53
Rot. Bonds1

About (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium

(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium (PubChem CID 135965685) has the molecular formula C8H12N3O2+ and a molecular weight of 182.20 g/mol. Its IUPAC name is (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium.

Molecular Properties

Compound Name(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium
PubChem CID135965685
Molecular FormulaC8H12N3O2+
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium
SMILESCc1nc(O)c(C=[N+](C)C)c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-9-7(12)6(4-11(2)3)8(13)10-5/h4H,1-3H3,(H,9,10,12,13)/p+1
InChIKeyVHDKJGZBFWUDET-UHFFFAOYSA-O
XLogP-0.53
TPSA68.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium?
The IUPAC name of (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium (CID 135965685) is (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium.
What is the SMILES notation for (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium?
The canonical SMILES for (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium is Cc1nc(O)c(C=[N+](C)C)c(=O)[nH]1.
What is the InChIKey of (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium?
The InChIKey is VHDKJGZBFWUDET-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N3O2/c1-5-9-7(12)6(4-11(2)3)8(13)10-5/h4H,1-3H3,(H,9,10,12,13)/p+1.
What are the key properties of (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium?
(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium has a molecular weight of 182.20 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)methylidene-dimethylazanium is sourced from PubChem (CID 135965685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).