4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine

C15H21N5O — CID 166634775

IUPAC4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
SMILESCc1ccnn1CCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H21N5O/c1-13-5-6-18-20(13)9-10-21-15-11-14(16-12-17-15)19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyKTPNKVKVBOZASU-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds5

About 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine

4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine (PubChem CID 166634775) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
PubChem CID166634775
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
SMILESCc1ccnn1CCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C15H21N5O/c1-13-5-6-18-20(13)9-10-21-15-11-14(16-12-17-15)19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyKTPNKVKVBOZASU-UHFFFAOYSA-N
XLogP2.05
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine (CID 166634775) is 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine is Cc1ccnn1CCOc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine?
The InChIKey is KTPNKVKVBOZASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-13-5-6-18-20(13)9-10-21-15-11-14(16-12-17-15)19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine?
4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine has a molecular weight of 287.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 166634775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).