6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione

C10H12N4O5 — CID 3385989

IUPAC6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C=CN2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C10H12N4O5/c15-9-8(14(17)18)7(11-10(16)12-9)1-2-13-3-5-19-6-4-13/h1-2H,3-6H2,(H2,11,12,15,16)
InChIKeyQYWABMZCCKYEJU-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.73
Rot. Bonds3

About 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione

6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione (PubChem CID 3385989) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione
PubChem CID3385989
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C=CN2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C10H12N4O5/c15-9-8(14(17)18)7(11-10(16)12-9)1-2-13-3-5-19-6-4-13/h1-2H,3-6H2,(H2,11,12,15,16)
InChIKeyQYWABMZCCKYEJU-UHFFFAOYSA-N
XLogP-0.73
TPSA121.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.73
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 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione (CID 3385989) is 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione is O=c1[nH]c(C=CN2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione?
The InChIKey is QYWABMZCCKYEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c15-9-8(14(17)18)7(11-10(16)12-9)1-2-13-3-5-19-6-4-13/h1-2H,3-6H2,(H2,11,12,15,16).
What are the key properties of 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione?
6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione has a molecular weight of 268.23 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethenyl)-5-nitro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3385989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).