3-chloroimidazo[1,2-a]pyrimidine

C6H4ClN3 — CID 15179743

IUPAC3-chloroimidazo[1,2-a]pyrimidine
SMILESClc1cnc2ncccn12
InChIInChI=1S/C6H4ClN3/c7-5-4-9-6-8-2-1-3-10(5)6/h1-4H
InChIKeyPYJDVXIMKJKXAK-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.38
Rot. Bonds

About 3-chloroimidazo[1,2-a]pyrimidine

3-chloroimidazo[1,2-a]pyrimidine (PubChem CID 15179743) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 3-chloroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-chloroimidazo[1,2-a]pyrimidine
PubChem CID15179743
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name3-chloroimidazo[1,2-a]pyrimidine
SMILESClc1cnc2ncccn12
InChIInChI=1S/C6H4ClN3/c7-5-4-9-6-8-2-1-3-10(5)6/h1-4H
InChIKeyPYJDVXIMKJKXAK-UHFFFAOYSA-N
XLogP1.38
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloroimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-chloroimidazo[1,2-a]pyrimidine (CID 15179743) is 3-chloroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-chloroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-chloroimidazo[1,2-a]pyrimidine is Clc1cnc2ncccn12.
What is the InChIKey of 3-chloroimidazo[1,2-a]pyrimidine?
The InChIKey is PYJDVXIMKJKXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-5-4-9-6-8-2-1-3-10(5)6/h1-4H.
What are the key properties of 3-chloroimidazo[1,2-a]pyrimidine?
3-chloroimidazo[1,2-a]pyrimidine has a molecular weight of 153.57 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 15179743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).