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

C8H8N4 — CID 89187650

IUPAC5-(1H-imidazol-5-yl)-2-methylpyrimidine
SMILESCc1ncc(-c2cnc[nH]2)cn1
InChIInChI=1S/C8H8N4/c1-6-10-2-7(3-11-6)8-4-9-5-12-8/h2-5H,1H3,(H,9,12)
InChIKeyFTPPLJJYELWBCD-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.18
Rot. Bonds1

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

5-(1H-imidazol-5-yl)-2-methylpyrimidine (PubChem CID 89187650) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-2-methylpyrimidine
PubChem CID89187650
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name5-(1H-imidazol-5-yl)-2-methylpyrimidine
SMILESCc1ncc(-c2cnc[nH]2)cn1
InChIInChI=1S/C8H8N4/c1-6-10-2-7(3-11-6)8-4-9-5-12-8/h2-5H,1H3,(H,9,12)
InChIKeyFTPPLJJYELWBCD-UHFFFAOYSA-N
XLogP1.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-2-methylpyrimidine?
The IUPAC name of 5-(1H-imidazol-5-yl)-2-methylpyrimidine (CID 89187650) is 5-(1H-imidazol-5-yl)-2-methylpyrimidine.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-2-methylpyrimidine?
The canonical SMILES for 5-(1H-imidazol-5-yl)-2-methylpyrimidine is Cc1ncc(-c2cnc[nH]2)cn1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-2-methylpyrimidine?
The InChIKey is FTPPLJJYELWBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-6-10-2-7(3-11-6)8-4-9-5-12-8/h2-5H,1H3,(H,9,12).
What are the key properties of 5-(1H-imidazol-5-yl)-2-methylpyrimidine?
5-(1H-imidazol-5-yl)-2-methylpyrimidine has a molecular weight of 160.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-2-methylpyrimidine is sourced from PubChem (CID 89187650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).