5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine

C21H20N4O — CID 46865372

IUPAC5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine
SMILESc1ccc2c(OC[C@H]3CCCN3c3ccnc4nccn34)cccc2c1
InChIInChI=1S/C21H20N4O/c1-2-8-18-16(5-1)6-3-9-19(18)26-15-17-7-4-13-24(17)20-10-11-22-21-23-12-14-25(20)21/h1-3,5-6,8-12,14,17H,4,7,13,15H2/t17-/m1/s1
InChIKeyKZDTUSZNJHGAIW-QGZVFWFLSA-N
MW344.42 g/mol
LogP3.93
Rot. Bonds4

About 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine

5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine (PubChem CID 46865372) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine
PubChem CID46865372
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine
SMILESc1ccc2c(OC[C@H]3CCCN3c3ccnc4nccn34)cccc2c1
InChIInChI=1S/C21H20N4O/c1-2-8-18-16(5-1)6-3-9-19(18)26-15-17-7-4-13-24(17)20-10-11-22-21-23-12-14-25(20)21/h1-3,5-6,8-12,14,17H,4,7,13,15H2/t17-/m1/s1
InChIKeyKZDTUSZNJHGAIW-QGZVFWFLSA-N
XLogP3.93
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine (CID 46865372) is 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine is c1ccc2c(OC[C@H]3CCCN3c3ccnc4nccn34)cccc2c1.
What is the InChIKey of 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is KZDTUSZNJHGAIW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-8-18-16(5-1)6-3-9-19(18)26-15-17-7-4-13-24(17)20-10-11-22-21-23-12-14-25(20)21/h1-3,5-6,8-12,14,17H,4,7,13,15H2/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine?
5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 344.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 46865372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).