4-amino-1,1-dimethylpyrimidin-1-ium-2-one

C6H10N3O+ — CID 23333307

IUPAC4-amino-1,1-dimethylpyrimidin-1-ium-2-one
SMILESC[N+]1(C)C=CC(N)=NC1=O
InChIInChI=1S/C6H9N3O/c1-9(2)4-3-5(7)8-6(9)10/h3-4H,1-2H3,(H-,7,8,10)/p+1
InChIKeyRCVUGMUDXDELFL-UHFFFAOYSA-O
MW140.17 g/mol
LogP0.07
Rot. Bonds

About 4-amino-1,1-dimethylpyrimidin-1-ium-2-one

4-amino-1,1-dimethylpyrimidin-1-ium-2-one (PubChem CID 23333307) has the molecular formula C6H10N3O+ and a molecular weight of 140.17 g/mol. Its IUPAC name is 4-amino-1,1-dimethylpyrimidin-1-ium-2-one.

Molecular Properties

Compound Name4-amino-1,1-dimethylpyrimidin-1-ium-2-one
PubChem CID23333307
Molecular FormulaC6H10N3O+
Molecular Weight140.17 g/mol
Exact Mass140.08
IUPAC Name4-amino-1,1-dimethylpyrimidin-1-ium-2-one
SMILESC[N+]1(C)C=CC(N)=NC1=O
InChIInChI=1S/C6H9N3O/c1-9(2)4-3-5(7)8-6(9)10/h3-4H,1-2H3,(H-,7,8,10)/p+1
InChIKeyRCVUGMUDXDELFL-UHFFFAOYSA-O
XLogP0.07
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1-dimethylpyrimidin-1-ium-2-one?
The IUPAC name of 4-amino-1,1-dimethylpyrimidin-1-ium-2-one (CID 23333307) is 4-amino-1,1-dimethylpyrimidin-1-ium-2-one.
What is the SMILES notation for 4-amino-1,1-dimethylpyrimidin-1-ium-2-one?
The canonical SMILES for 4-amino-1,1-dimethylpyrimidin-1-ium-2-one is C[N+]1(C)C=CC(N)=NC1=O.
What is the InChIKey of 4-amino-1,1-dimethylpyrimidin-1-ium-2-one?
The InChIKey is RCVUGMUDXDELFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9N3O/c1-9(2)4-3-5(7)8-6(9)10/h3-4H,1-2H3,(H-,7,8,10)/p+1.
What are the key properties of 4-amino-1,1-dimethylpyrimidin-1-ium-2-one?
4-amino-1,1-dimethylpyrimidin-1-ium-2-one has a molecular weight of 140.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1-dimethylpyrimidin-1-ium-2-one is sourced from PubChem (CID 23333307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).