4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine

C17H23N5O2 — CID 171701040

IUPAC4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCOc1cnc(OC2CCCN(c3ccnc(C(C)C)n3)C2)nc1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-18-7-6-15(21-16)22-8-4-5-13(11-22)24-17-19-9-14(23-3)10-20-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3
InChIKeyAOMLOJCUJRPZEA-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.45
Rot. Bonds5

About 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine

4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine (PubChem CID 171701040) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
PubChem CID171701040
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCOc1cnc(OC2CCCN(c3ccnc(C(C)C)n3)C2)nc1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-18-7-6-15(21-16)22-8-4-5-13(11-22)24-17-19-9-14(23-3)10-20-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3
InChIKeyAOMLOJCUJRPZEA-UHFFFAOYSA-N
XLogP2.45
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine (CID 171701040) is 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine is COc1cnc(OC2CCCN(c3ccnc(C(C)C)n3)C2)nc1.
What is the InChIKey of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
The InChIKey is AOMLOJCUJRPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)16-18-7-6-15(21-16)22-8-4-5-13(11-22)24-17-19-9-14(23-3)10-20-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3.
What are the key properties of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine has a molecular weight of 329.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 171701040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).