2-imidazol-1-ylpyrimidine

C7H6N4 — CID 9120662

IUPAC2-imidazol-1-ylpyrimidine
SMILESc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C7H6N4/c1-2-9-7(10-3-1)11-5-4-8-6-11/h1-6H
InChIKeyWQMHSYISOHEFSU-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.66
Rot. Bonds1

About 2-imidazol-1-ylpyrimidine

2-imidazol-1-ylpyrimidine (PubChem CID 9120662) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-imidazol-1-ylpyrimidine
PubChem CID9120662
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name2-imidazol-1-ylpyrimidine
SMILESc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C7H6N4/c1-2-9-7(10-3-1)11-5-4-8-6-11/h1-6H
InChIKeyWQMHSYISOHEFSU-UHFFFAOYSA-N
XLogP0.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylpyrimidine?
The IUPAC name of 2-imidazol-1-ylpyrimidine (CID 9120662) is 2-imidazol-1-ylpyrimidine.
What is the SMILES notation for 2-imidazol-1-ylpyrimidine?
The canonical SMILES for 2-imidazol-1-ylpyrimidine is c1cnc(-n2ccnc2)nc1.
What is the InChIKey of 2-imidazol-1-ylpyrimidine?
The InChIKey is WQMHSYISOHEFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-9-7(10-3-1)11-5-4-8-6-11/h1-6H.
What are the key properties of 2-imidazol-1-ylpyrimidine?
2-imidazol-1-ylpyrimidine has a molecular weight of 146.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylpyrimidine is sourced from PubChem (CID 9120662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).