5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C9H10N4O3 — CID 3086959

IUPAC5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(NO)ccnc2n(C)c1=O
InChIInChI=1S/C9H10N4O3/c1-12-7-6(5(11-16)3-4-10-7)8(14)13(2)9(12)15/h3-4,16H,1-2H3,(H,10,11)
InChIKeyRAYDAEQQDDEXLA-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.57
Rot. Bonds1

About 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 3086959) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID3086959
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(NO)ccnc2n(C)c1=O
InChIInChI=1S/C9H10N4O3/c1-12-7-6(5(11-16)3-4-10-7)8(14)13(2)9(12)15/h3-4,16H,1-2H3,(H,10,11)
InChIKeyRAYDAEQQDDEXLA-UHFFFAOYSA-N
XLogP-0.57
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 3086959) is 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(NO)ccnc2n(C)c1=O.
What is the InChIKey of 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RAYDAEQQDDEXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-12-7-6(5(11-16)3-4-10-7)8(14)13(2)9(12)15/h3-4,16H,1-2H3,(H,10,11).
What are the key properties of 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 222.20 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3086959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).