2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine

C11H16ClN3O — CID 79075665

IUPAC2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
SMILESCOC1CCN(c2nc(Cl)ncc2C)CC1
InChIInChI=1S/C11H16ClN3O/c1-8-7-13-11(12)14-10(8)15-5-3-9(16-2)4-6-15/h7,9H,3-6H2,1-2H3
InChIKeyYPLLMWAHQUNHAA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds2

About 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine

2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine (PubChem CID 79075665) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
PubChem CID79075665
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
SMILESCOC1CCN(c2nc(Cl)ncc2C)CC1
InChIInChI=1S/C11H16ClN3O/c1-8-7-13-11(12)14-10(8)15-5-3-9(16-2)4-6-15/h7,9H,3-6H2,1-2H3
InChIKeyYPLLMWAHQUNHAA-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine (CID 79075665) is 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine is COC1CCN(c2nc(Cl)ncc2C)CC1.
What is the InChIKey of 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine?
The InChIKey is YPLLMWAHQUNHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-7-13-11(12)14-10(8)15-5-3-9(16-2)4-6-15/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine?
2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine has a molecular weight of 241.72 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 79075665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).