2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine

C15H11F3N4 — CID 141185333

IUPAC2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C15H11F3N4/c1-10-8-13(21-14(20-10)22-7-6-19-9-22)11-2-4-12(5-3-11)15(16,17)18/h2-9H,1H3
InChIKeyQYAJUBCBPBSJQH-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.66
Rot. Bonds2

About 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine

2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 141185333) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID141185333
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1
InChIInChI=1S/C15H11F3N4/c1-10-8-13(21-14(20-10)22-7-6-19-9-22)11-2-4-12(5-3-11)15(16,17)18/h2-9H,1H3
InChIKeyQYAJUBCBPBSJQH-UHFFFAOYSA-N
XLogP3.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 141185333) is 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine is Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is QYAJUBCBPBSJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c1-10-8-13(21-14(20-10)22-7-6-19-9-22)11-2-4-12(5-3-11)15(16,17)18/h2-9H,1H3.
What are the key properties of 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine?
2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 304.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 141185333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).