2-amino-1,5-dihydropyrimidin-5-ylium-6-one

C4H4N3O+ — CID 101184479

IUPAC2-amino-1,5-dihydropyrimidin-5-ylium-6-one
SMILESNC1=NC=[C+]C(=O)N1
InChIInChI=1S/C4H3N3O/c5-4-6-2-1-3(8)7-4/h2H,(H2-,5,6,7,8)/p+1
InChIKeyYAPGLVJJSAZGBF-UHFFFAOYSA-O
MW110.10 g/mol
LogP-1.25
Rot. Bonds

About 2-amino-1,5-dihydropyrimidin-5-ylium-6-one

2-amino-1,5-dihydropyrimidin-5-ylium-6-one (PubChem CID 101184479) has the molecular formula C4H4N3O+ and a molecular weight of 110.10 g/mol. Its IUPAC name is 2-amino-1,5-dihydropyrimidin-5-ylium-6-one.

Molecular Properties

Compound Name2-amino-1,5-dihydropyrimidin-5-ylium-6-one
PubChem CID101184479
Molecular FormulaC4H4N3O+
Molecular Weight110.10 g/mol
Exact Mass110.03
IUPAC Name2-amino-1,5-dihydropyrimidin-5-ylium-6-one
SMILESNC1=NC=[C+]C(=O)N1
InChIInChI=1S/C4H3N3O/c5-4-6-2-1-3(8)7-4/h2H,(H2-,5,6,7,8)/p+1
InChIKeyYAPGLVJJSAZGBF-UHFFFAOYSA-O
XLogP-1.25
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,5-dihydropyrimidin-5-ylium-6-one?
The IUPAC name of 2-amino-1,5-dihydropyrimidin-5-ylium-6-one (CID 101184479) is 2-amino-1,5-dihydropyrimidin-5-ylium-6-one.
What is the SMILES notation for 2-amino-1,5-dihydropyrimidin-5-ylium-6-one?
The canonical SMILES for 2-amino-1,5-dihydropyrimidin-5-ylium-6-one is NC1=NC=[C+]C(=O)N1.
What is the InChIKey of 2-amino-1,5-dihydropyrimidin-5-ylium-6-one?
The InChIKey is YAPGLVJJSAZGBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H3N3O/c5-4-6-2-1-3(8)7-4/h2H,(H2-,5,6,7,8)/p+1.
What are the key properties of 2-amino-1,5-dihydropyrimidin-5-ylium-6-one?
2-amino-1,5-dihydropyrimidin-5-ylium-6-one has a molecular weight of 110.10 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,5-dihydropyrimidin-5-ylium-6-one is sourced from PubChem (CID 101184479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).