1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione

C10H14N4O5 — CID 55239018

IUPAC1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O5/c15-9-8(14(17)18)7-13(10(16)11-9)2-1-12-3-5-19-6-4-12/h7H,1-6H2,(H,11,15,16)
InChIKeyUAZYUQNOUWSNSP-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.22
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione

1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione (PubChem CID 55239018) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione
PubChem CID55239018
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCN2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O5/c15-9-8(14(17)18)7-13(10(16)11-9)2-1-12-3-5-19-6-4-12/h7H,1-6H2,(H,11,15,16)
InChIKeyUAZYUQNOUWSNSP-UHFFFAOYSA-N
XLogP-1.22
TPSA110.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione (CID 55239018) is 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCN2CCOCC2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione?
The InChIKey is UAZYUQNOUWSNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-9-8(14(17)18)7-13(10(16)11-9)2-1-12-3-5-19-6-4-12/h7H,1-6H2,(H,11,15,16).
What are the key properties of 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione?
1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione has a molecular weight of 270.24 g/mol, XLogP of -1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-5-nitropyrimidine-2,4-dione is sourced from PubChem (CID 55239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).