4-chloro-6-imidazol-1-ylpyrimidine

C7H5ClN4 — CID 2757612

IUPAC4-chloro-6-imidazol-1-ylpyrimidine
SMILESClc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C7H5ClN4/c8-6-3-7(11-4-10-6)12-2-1-9-5-12/h1-5H
InChIKeyBOBHIPMYQAROLL-UHFFFAOYSA-N
MW180.60 g/mol
LogP1.32
Rot. Bonds1

About 4-chloro-6-imidazol-1-ylpyrimidine

4-chloro-6-imidazol-1-ylpyrimidine (PubChem CID 2757612) has the molecular formula C7H5ClN4 and a molecular weight of 180.60 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-ylpyrimidine
PubChem CID2757612
Molecular FormulaC7H5ClN4
Molecular Weight180.60 g/mol
Exact Mass180.02
IUPAC Name4-chloro-6-imidazol-1-ylpyrimidine
SMILESClc1cc(-n2ccnc2)ncn1
InChIInChI=1S/C7H5ClN4/c8-6-3-7(11-4-10-6)12-2-1-9-5-12/h1-5H
InChIKeyBOBHIPMYQAROLL-UHFFFAOYSA-N
XLogP1.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.60
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-ylpyrimidine?
The IUPAC name of 4-chloro-6-imidazol-1-ylpyrimidine (CID 2757612) is 4-chloro-6-imidazol-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-imidazol-1-ylpyrimidine?
The canonical SMILES for 4-chloro-6-imidazol-1-ylpyrimidine is Clc1cc(-n2ccnc2)ncn1.
What is the InChIKey of 4-chloro-6-imidazol-1-ylpyrimidine?
The InChIKey is BOBHIPMYQAROLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4/c8-6-3-7(11-4-10-6)12-2-1-9-5-12/h1-5H.
What are the key properties of 4-chloro-6-imidazol-1-ylpyrimidine?
4-chloro-6-imidazol-1-ylpyrimidine has a molecular weight of 180.60 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-ylpyrimidine is sourced from PubChem (CID 2757612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).