1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione

C7H9N3O5 — CID 11535859

IUPAC1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione
SMILESCC(O)Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O5/c1-4(11)2-9-3-5(10(14)15)6(12)8-7(9)13/h3-4,11H,2H2,1H3,(H,8,12,13)
InChIKeyDFZLLSMVIXMPLE-UHFFFAOYSA-N
MW215.16 g/mol
LogP-1.17
Rot. Bonds3

About 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione

1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione (PubChem CID 11535859) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione
PubChem CID11535859
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione
SMILESCC(O)Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O5/c1-4(11)2-9-3-5(10(14)15)6(12)8-7(9)13/h3-4,11H,2H2,1H3,(H,8,12,13)
InChIKeyDFZLLSMVIXMPLE-UHFFFAOYSA-N
XLogP-1.17
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione (CID 11535859) is 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione is CC(O)Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione?
The InChIKey is DFZLLSMVIXMPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c1-4(11)2-9-3-5(10(14)15)6(12)8-7(9)13/h3-4,11H,2H2,1H3,(H,8,12,13).
What are the key properties of 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione?
1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione has a molecular weight of 215.16 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 11535859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).