5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine

C10H14ClN3O — CID 118426691

IUPAC5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine
SMILESCc1nc(OC2CCNCC2)ncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-9(11)6-13-10(14-7)15-8-2-4-12-5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyICNODGLFGSBLTG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.57
Rot. Bonds2

About 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine

5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine (PubChem CID 118426691) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine
PubChem CID118426691
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine
SMILESCc1nc(OC2CCNCC2)ncc1Cl
InChIInChI=1S/C10H14ClN3O/c1-7-9(11)6-13-10(14-7)15-8-2-4-12-5-3-8/h6,8,12H,2-5H2,1H3
InChIKeyICNODGLFGSBLTG-UHFFFAOYSA-N
XLogP1.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine?
The IUPAC name of 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine (CID 118426691) is 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine?
The canonical SMILES for 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine is Cc1nc(OC2CCNCC2)ncc1Cl.
What is the InChIKey of 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine?
The InChIKey is ICNODGLFGSBLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-9(11)6-13-10(14-7)15-8-2-4-12-5-3-8/h6,8,12H,2-5H2,1H3.
What are the key properties of 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine?
5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 118426691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).