8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine

C22H36N4O — CID 167115664

IUPAC8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCCc1c(CC)nc(OCC23CCCN2CCC3)nc1N1CCCCC1
InChIInChI=1S/C22H36N4O/c1-3-10-18-19(4-2)23-21(24-20(18)25-13-6-5-7-14-25)27-17-22-11-8-15-26(22)16-9-12-22/h3-17H2,1-2H3
InChIKeyBLWSWASNIHUFJO-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.99
Rot. Bonds7

About 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine

8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 167115664) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID167115664
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCCc1c(CC)nc(OCC23CCCN2CCC3)nc1N1CCCCC1
InChIInChI=1S/C22H36N4O/c1-3-10-18-19(4-2)23-21(24-20(18)25-13-6-5-7-14-25)27-17-22-11-8-15-26(22)16-9-12-22/h3-17H2,1-2H3
InChIKeyBLWSWASNIHUFJO-UHFFFAOYSA-N
XLogP3.99
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 167115664) is 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine is CCCc1c(CC)nc(OCC23CCCN2CCC3)nc1N1CCCCC1.
What is the InChIKey of 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is BLWSWASNIHUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-3-10-18-19(4-2)23-21(24-20(18)25-13-6-5-7-14-25)27-17-22-11-8-15-26(22)16-9-12-22/h3-17H2,1-2H3.
What are the key properties of 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine?
8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 372.56 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-ethyl-6-piperidin-1-yl-5-propylpyrimidin-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 167115664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).