4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine

C11H15ClN4O2 — CID 3383771

IUPAC4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine
SMILESCC1CCCC(C)N1c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O2/c1-7-4-3-5-8(2)15(7)11-9(16(17)18)10(12)13-6-14-11/h6-8H,3-5H2,1-2H3
InChIKeyABZVWHHJXWAFDH-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.81
Rot. Bonds2

About 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine

4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine (PubChem CID 3383771) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine
PubChem CID3383771
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine
SMILESCC1CCCC(C)N1c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O2/c1-7-4-3-5-8(2)15(7)11-9(16(17)18)10(12)13-6-14-11/h6-8H,3-5H2,1-2H3
InChIKeyABZVWHHJXWAFDH-UHFFFAOYSA-N
XLogP2.81
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.81
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine?
The IUPAC name of 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine (CID 3383771) is 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine?
The canonical SMILES for 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine is CC1CCCC(C)N1c1ncnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine?
The InChIKey is ABZVWHHJXWAFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7-4-3-5-8(2)15(7)11-9(16(17)18)10(12)13-6-14-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine?
4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine has a molecular weight of 270.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine is sourced from PubChem (CID 3383771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).