4-(methoxyamino)-1-methylpyrimidin-2-one

C6H9N3O2 — CID 23278918

IUPAC4-(methoxyamino)-1-methylpyrimidin-2-one
SMILESCONc1ccn(C)c(=O)n1
InChIInChI=1S/C6H9N3O2/c1-9-4-3-5(8-11-2)7-6(9)10/h3-4H,1-2H3,(H,7,8,10)
InChIKeyWUHAZIZZHQRLTG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.25
Rot. Bonds2

About 4-(methoxyamino)-1-methylpyrimidin-2-one

4-(methoxyamino)-1-methylpyrimidin-2-one (PubChem CID 23278918) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-(methoxyamino)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-(methoxyamino)-1-methylpyrimidin-2-one
PubChem CID23278918
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name4-(methoxyamino)-1-methylpyrimidin-2-one
SMILESCONc1ccn(C)c(=O)n1
InChIInChI=1S/C6H9N3O2/c1-9-4-3-5(8-11-2)7-6(9)10/h3-4H,1-2H3,(H,7,8,10)
InChIKeyWUHAZIZZHQRLTG-UHFFFAOYSA-N
XLogP-0.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-1-methylpyrimidin-2-one?
The IUPAC name of 4-(methoxyamino)-1-methylpyrimidin-2-one (CID 23278918) is 4-(methoxyamino)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-(methoxyamino)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-(methoxyamino)-1-methylpyrimidin-2-one is CONc1ccn(C)c(=O)n1.
What is the InChIKey of 4-(methoxyamino)-1-methylpyrimidin-2-one?
The InChIKey is WUHAZIZZHQRLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-4-3-5(8-11-2)7-6(9)10/h3-4H,1-2H3,(H,7,8,10).
What are the key properties of 4-(methoxyamino)-1-methylpyrimidin-2-one?
4-(methoxyamino)-1-methylpyrimidin-2-one has a molecular weight of 155.16 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyamino)-1-methylpyrimidin-2-one is sourced from PubChem (CID 23278918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).