2-(1H-imidazol-5-yl)pyrimidine

C7H6N4 — CID 22594121

IUPAC2-(1H-imidazol-5-yl)pyrimidine
SMILESc1cnc(-c2cnc[nH]2)nc1
InChIInChI=1S/C7H6N4/c1-2-9-7(10-3-1)6-4-8-5-11-6/h1-5H,(H,8,11)
InChIKeyYBFUXMHZFBIBCJ-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds1

About 2-(1H-imidazol-5-yl)pyrimidine

2-(1H-imidazol-5-yl)pyrimidine (PubChem CID 22594121) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)pyrimidine
PubChem CID22594121
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name2-(1H-imidazol-5-yl)pyrimidine
SMILESc1cnc(-c2cnc[nH]2)nc1
InChIInChI=1S/C7H6N4/c1-2-9-7(10-3-1)6-4-8-5-11-6/h1-5H,(H,8,11)
InChIKeyYBFUXMHZFBIBCJ-UHFFFAOYSA-N
XLogP0.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)pyrimidine?
The IUPAC name of 2-(1H-imidazol-5-yl)pyrimidine (CID 22594121) is 2-(1H-imidazol-5-yl)pyrimidine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)pyrimidine?
The canonical SMILES for 2-(1H-imidazol-5-yl)pyrimidine is c1cnc(-c2cnc[nH]2)nc1.
What is the InChIKey of 2-(1H-imidazol-5-yl)pyrimidine?
The InChIKey is YBFUXMHZFBIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-9-7(10-3-1)6-4-8-5-11-6/h1-5H,(H,8,11).
What are the key properties of 2-(1H-imidazol-5-yl)pyrimidine?
2-(1H-imidazol-5-yl)pyrimidine has a molecular weight of 146.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)pyrimidine is sourced from PubChem (CID 22594121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).