4-chloro-5-nitro-6-piperidin-1-ylpyrimidine

C9H11ClN4O2 — CID 3838152

IUPAC4-chloro-5-nitro-6-piperidin-1-ylpyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1
InChIInChI=1S/C9H11ClN4O2/c10-8-7(14(15)16)9(12-6-11-8)13-4-2-1-3-5-13/h6H,1-5H2
InChIKeyDUUANYMIZRXPBG-UHFFFAOYSA-N
MW242.67 g/mol
LogP2.03
Rot. Bonds2

About 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine

4-chloro-5-nitro-6-piperidin-1-ylpyrimidine (PubChem CID 3838152) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-nitro-6-piperidin-1-ylpyrimidine
PubChem CID3838152
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name4-chloro-5-nitro-6-piperidin-1-ylpyrimidine
SMILESO=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1
InChIInChI=1S/C9H11ClN4O2/c10-8-7(14(15)16)9(12-6-11-8)13-4-2-1-3-5-13/h6H,1-5H2
InChIKeyDUUANYMIZRXPBG-UHFFFAOYSA-N
XLogP2.03
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-5-nitro-6-piperidin-1-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 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine (CID 3838152) is 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine is O=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1.
What is the InChIKey of 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine?
The InChIKey is DUUANYMIZRXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-8-7(14(15)16)9(12-6-11-8)13-4-2-1-3-5-13/h6H,1-5H2.
What are the key properties of 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine?
4-chloro-5-nitro-6-piperidin-1-ylpyrimidine has a molecular weight of 242.67 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-nitro-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 3838152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).