6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione

C6H9N3O3 — CID 2785933

IUPAC6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NO)cc(=O)n(C)c1=O
InChIInChI=1S/C6H9N3O3/c1-8-4(7-12)3-5(10)9(2)6(8)11/h3,7,12H,1-2H3
InChIKeyIDNXXKWTYARIKB-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.11
Rot. Bonds1

About 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione

6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2785933) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2785933
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NO)cc(=O)n(C)c1=O
InChIInChI=1S/C6H9N3O3/c1-8-4(7-12)3-5(10)9(2)6(8)11/h3,7,12H,1-2H3
InChIKeyIDNXXKWTYARIKB-UHFFFAOYSA-N
XLogP-1.11
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione (CID 2785933) is 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NO)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IDNXXKWTYARIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-8-4(7-12)3-5(10)9(2)6(8)11/h3,7,12H,1-2H3.
What are the key properties of 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione?
6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 171.16 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2785933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).