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

C16H17N5 — CID 118739960

IUPAC5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine
SMILESc1cncc(CN2CCC(c3ccnc4nccn34)C2)c1
InChIInChI=1S/C16H17N5/c1-2-13(10-17-5-1)11-20-8-4-14(12-20)15-3-6-18-16-19-7-9-21(15)16/h1-3,5-7,9-10,14H,4,8,11-12H2
InChIKeyNVJLWZFDALSBOM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.11
Rot. Bonds3

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

5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine (PubChem CID 118739960) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine
PubChem CID118739960
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine
SMILESc1cncc(CN2CCC(c3ccnc4nccn34)C2)c1
InChIInChI=1S/C16H17N5/c1-2-13(10-17-5-1)11-20-8-4-14(12-20)15-3-6-18-16-19-7-9-21(15)16/h1-3,5-7,9-10,14H,4,8,11-12H2
InChIKeyNVJLWZFDALSBOM-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-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine (CID 118739960) is 5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine is c1cncc(CN2CCC(c3ccnc4nccn34)C2)c1.
What is the InChIKey of 5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is NVJLWZFDALSBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-13(10-17-5-1)11-20-8-4-14(12-20)15-3-6-18-16-19-7-9-21(15)16/h1-3,5-7,9-10,14H,4,8,11-12H2.
What are the key properties of 5-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine?
5-[1-(pyridin-3-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-3-ylmethyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118739960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).