4,6-dimethoxy-2-piperidin-1-ylpyrimidine

C11H17N3O2 — CID 90342172

IUPAC4,6-dimethoxy-2-piperidin-1-ylpyrimidine
SMILESCOc1cc(OC)nc(N2CCCCC2)n1
InChIInChI=1S/C11H17N3O2/c1-15-9-8-10(16-2)13-11(12-9)14-6-4-3-5-7-14/h8H,3-7H2,1-2H3
InChIKeyHHUHVWRRJWEKCJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.48
Rot. Bonds3

About 4,6-dimethoxy-2-piperidin-1-ylpyrimidine

4,6-dimethoxy-2-piperidin-1-ylpyrimidine (PubChem CID 90342172) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4,6-dimethoxy-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-piperidin-1-ylpyrimidine
PubChem CID90342172
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4,6-dimethoxy-2-piperidin-1-ylpyrimidine
SMILESCOc1cc(OC)nc(N2CCCCC2)n1
InChIInChI=1S/C11H17N3O2/c1-15-9-8-10(16-2)13-11(12-9)14-6-4-3-5-7-14/h8H,3-7H2,1-2H3
InChIKeyHHUHVWRRJWEKCJ-UHFFFAOYSA-N
XLogP1.48
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-piperidin-1-ylpyrimidine?
The IUPAC name of 4,6-dimethoxy-2-piperidin-1-ylpyrimidine (CID 90342172) is 4,6-dimethoxy-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-piperidin-1-ylpyrimidine is COc1cc(OC)nc(N2CCCCC2)n1.
What is the InChIKey of 4,6-dimethoxy-2-piperidin-1-ylpyrimidine?
The InChIKey is HHUHVWRRJWEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-9-8-10(16-2)13-11(12-9)14-6-4-3-5-7-14/h8H,3-7H2,1-2H3.
What are the key properties of 4,6-dimethoxy-2-piperidin-1-ylpyrimidine?
4,6-dimethoxy-2-piperidin-1-ylpyrimidine has a molecular weight of 223.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 90342172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).