6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione

C7H7N3O4 — CID 24903887

IUPAC6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CC2)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C7H7N3O4/c11-6-5(10(13)14)4(3-1-2-3)8-7(12)9-6/h3H,1-2H2,(H2,8,9,11,12)
InChIKeyHIPZYZGERDTHMU-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.15
Rot. Bonds2

About 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione

6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione (PubChem CID 24903887) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione
PubChem CID24903887
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CC2)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C7H7N3O4/c11-6-5(10(13)14)4(3-1-2-3)8-7(12)9-6/h3H,1-2H2,(H2,8,9,11,12)
InChIKeyHIPZYZGERDTHMU-UHFFFAOYSA-N
XLogP-0.15
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione (CID 24903887) is 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CC2)c([N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione?
The InChIKey is HIPZYZGERDTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-6-5(10(13)14)4(3-1-2-3)8-7(12)9-6/h3H,1-2H2,(H2,8,9,11,12).
What are the key properties of 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione?
6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione has a molecular weight of 197.15 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-nitro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 24903887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).