5-nitro-2-pyrimidin-2-ylpyrimidine

C8H5N5O2 — CID 56692049

IUPAC5-nitro-2-pyrimidin-2-ylpyrimidine
SMILESO=[N+]([O-])c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C8H5N5O2/c14-13(15)6-4-11-8(12-5-6)7-9-2-1-3-10-7/h1-5H
InChIKeyXPFHBCQNPVLXMX-UHFFFAOYSA-N
MW203.16 g/mol
LogP0.84
Rot. Bonds2

About 5-nitro-2-pyrimidin-2-ylpyrimidine

5-nitro-2-pyrimidin-2-ylpyrimidine (PubChem CID 56692049) has the molecular formula C8H5N5O2 and a molecular weight of 203.16 g/mol. Its IUPAC name is 5-nitro-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name5-nitro-2-pyrimidin-2-ylpyrimidine
PubChem CID56692049
Molecular FormulaC8H5N5O2
Molecular Weight203.16 g/mol
Exact Mass203.04
IUPAC Name5-nitro-2-pyrimidin-2-ylpyrimidine
SMILESO=[N+]([O-])c1cnc(-c2ncccn2)nc1
InChIInChI=1S/C8H5N5O2/c14-13(15)6-4-11-8(12-5-6)7-9-2-1-3-10-7/h1-5H
InChIKeyXPFHBCQNPVLXMX-UHFFFAOYSA-N
XLogP0.84
TPSA94.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
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'}

Analyze 5-nitro-2-pyrimidin-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 5-nitro-2-pyrimidin-2-ylpyrimidine (CID 56692049) is 5-nitro-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 5-nitro-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 5-nitro-2-pyrimidin-2-ylpyrimidine is O=[N+]([O-])c1cnc(-c2ncccn2)nc1.
What is the InChIKey of 5-nitro-2-pyrimidin-2-ylpyrimidine?
The InChIKey is XPFHBCQNPVLXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O2/c14-13(15)6-4-11-8(12-5-6)7-9-2-1-3-10-7/h1-5H.
What are the key properties of 5-nitro-2-pyrimidin-2-ylpyrimidine?
5-nitro-2-pyrimidin-2-ylpyrimidine has a molecular weight of 203.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 56692049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).