4,6-dimethoxy-2-piperidin-4-ylpyrimidine

C11H17N3O2 — CID 2761142

IUPAC4,6-dimethoxy-2-piperidin-4-ylpyrimidine
SMILESCOc1cc(OC)nc(C2CCNCC2)n1
InChIInChI=1S/C11H17N3O2/c1-15-9-7-10(16-2)14-11(13-9)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3
InChIKeyKLBDSBXBSWXRQE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.96
Rot. Bonds3

About 4,6-dimethoxy-2-piperidin-4-ylpyrimidine

4,6-dimethoxy-2-piperidin-4-ylpyrimidine (PubChem CID 2761142) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4,6-dimethoxy-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-piperidin-4-ylpyrimidine
PubChem CID2761142
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4,6-dimethoxy-2-piperidin-4-ylpyrimidine
SMILESCOc1cc(OC)nc(C2CCNCC2)n1
InChIInChI=1S/C11H17N3O2/c1-15-9-7-10(16-2)14-11(13-9)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3
InChIKeyKLBDSBXBSWXRQE-UHFFFAOYSA-N
XLogP0.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethoxy-2-piperidin-4-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 4,6-dimethoxy-2-piperidin-4-ylpyrimidine?
The IUPAC name of 4,6-dimethoxy-2-piperidin-4-ylpyrimidine (CID 2761142) is 4,6-dimethoxy-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-piperidin-4-ylpyrimidine is COc1cc(OC)nc(C2CCNCC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-piperidin-4-ylpyrimidine?
The InChIKey is KLBDSBXBSWXRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-9-7-10(16-2)14-11(13-9)8-3-5-12-6-4-8/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-piperidin-4-ylpyrimidine?
4,6-dimethoxy-2-piperidin-4-ylpyrimidine has a molecular weight of 223.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 2761142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).