4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine

C14H12N4 — CID 3234697

IUPAC4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C14H12N4/c1-11-4-2-3-5-12(11)13-8-14(17-9-16-13)18-7-6-15-10-18/h2-10H,1H3
InChIKeyUZDAOZILIXYPGX-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine

4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine (PubChem CID 3234697) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine
PubChem CID3234697
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine
SMILESCc1ccccc1-c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C14H12N4/c1-11-4-2-3-5-12(11)13-8-14(17-9-16-13)18-7-6-15-10-18/h2-10H,1H3
InChIKeyUZDAOZILIXYPGX-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine (CID 3234697) is 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine is Cc1ccccc1-c1cc(-n2ccnc2)ncn1.
What is the InChIKey of 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine?
The InChIKey is UZDAOZILIXYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-4-2-3-5-12(11)13-8-14(17-9-16-13)18-7-6-15-10-18/h2-10H,1H3.
What are the key properties of 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine?
4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine has a molecular weight of 236.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(2-methylphenyl)pyrimidine is sourced from PubChem (CID 3234697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).