5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione

C9H12ClN3O2 — CID 83867955

IUPAC5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCNCC2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C9H12ClN3O2/c10-6-7(5-1-3-11-4-2-5)12-9(15)13-8(6)14/h5,11H,1-4H2,(H2,12,13,14,15)
InChIKeyZKEXDZJOENRYOM-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.18
Rot. Bonds1

About 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione

5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 83867955) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID83867955
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCNCC2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C9H12ClN3O2/c10-6-7(5-1-3-11-4-2-5)12-9(15)13-8(6)14/h5,11H,1-4H2,(H2,12,13,14,15)
InChIKeyZKEXDZJOENRYOM-UHFFFAOYSA-N
XLogP0.18
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione 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-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione (CID 83867955) is 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CCNCC2)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is ZKEXDZJOENRYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c10-6-7(5-1-3-11-4-2-5)12-9(15)13-8(6)14/h5,11H,1-4H2,(H2,12,13,14,15).
What are the key properties of 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione?
5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 229.67 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-piperidin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83867955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).