5-chloroimidazo[1,5-c]pyrimidine

C6H4ClN3 — CID 84649881

IUPAC5-chloroimidazo[1,5-c]pyrimidine
SMILESClc1nccc2cncn12
InChIInChI=1S/C6H4ClN3/c7-6-9-2-1-5-3-8-4-10(5)6/h1-4H
InChIKeyVUGPGHQKAFBNDL-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.38
Rot. Bonds

About 5-chloroimidazo[1,5-c]pyrimidine

5-chloroimidazo[1,5-c]pyrimidine (PubChem CID 84649881) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 5-chloroimidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Name5-chloroimidazo[1,5-c]pyrimidine
PubChem CID84649881
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name5-chloroimidazo[1,5-c]pyrimidine
SMILESClc1nccc2cncn12
InChIInChI=1S/C6H4ClN3/c7-6-9-2-1-5-3-8-4-10(5)6/h1-4H
InChIKeyVUGPGHQKAFBNDL-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 5-chloroimidazo[1,5-c]pyrimidine?
The IUPAC name of 5-chloroimidazo[1,5-c]pyrimidine (CID 84649881) is 5-chloroimidazo[1,5-c]pyrimidine.
What is the SMILES notation for 5-chloroimidazo[1,5-c]pyrimidine?
The canonical SMILES for 5-chloroimidazo[1,5-c]pyrimidine is Clc1nccc2cncn12.
What is the InChIKey of 5-chloroimidazo[1,5-c]pyrimidine?
The InChIKey is VUGPGHQKAFBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-6-9-2-1-5-3-8-4-10(5)6/h1-4H.
What are the key properties of 5-chloroimidazo[1,5-c]pyrimidine?
5-chloroimidazo[1,5-c]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 5-chloroimidazo[1,5-c]pyrimidine is sourced from PubChem (CID 84649881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).