5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine

C16H17N5 — CID 110258590

IUPAC5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine
SMILESc1cc(CN2CCC(c3ccnc4nccn34)C2)ccn1
InChIInChI=1S/C16H17N5/c1-5-17-6-2-13(1)11-20-9-4-14(12-20)15-3-7-18-16-19-8-10-21(15)16/h1-3,5-8,10,14H,4,9,11-12H2
InChIKeyLNYRJIPXBSYOCP-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.11
Rot. Bonds3

About 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine

5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine (PubChem CID 110258590) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine
PubChem CID110258590
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine
SMILESc1cc(CN2CCC(c3ccnc4nccn34)C2)ccn1
InChIInChI=1S/C16H17N5/c1-5-17-6-2-13(1)11-20-9-4-14(12-20)15-3-7-18-16-19-8-10-21(15)16/h1-3,5-8,10,14H,4,9,11-12H2
InChIKeyLNYRJIPXBSYOCP-UHFFFAOYSA-N
XLogP2.11
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine (CID 110258590) is 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine is c1cc(CN2CCC(c3ccnc4nccn34)C2)ccn1.
What is the InChIKey of 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is LNYRJIPXBSYOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-5-17-6-2-13(1)11-20-9-4-14(12-20)15-3-7-18-16-19-8-10-21(15)16/h1-3,5-8,10,14H,4,9,11-12H2.
What are the key properties of 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 279.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 110258590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).