2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

C15H14FN3 — CID 115404395

IUPAC2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(-c3ccc(C)c(F)c3)nc2n1
InChIInChI=1S/C15H14FN3/c1-9-4-5-12(7-13(9)16)14-8-19-11(3)6-10(2)17-15(19)18-14/h4-8H,1-3H3
InChIKeyNXWSBVOIXSXXSQ-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.46
Rot. Bonds1

About 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 115404395) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID115404395
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(-c3ccc(C)c(F)c3)nc2n1
InChIInChI=1S/C15H14FN3/c1-9-4-5-12(7-13(9)16)14-8-19-11(3)6-10(2)17-15(19)18-14/h4-8H,1-3H3
InChIKeyNXWSBVOIXSXXSQ-UHFFFAOYSA-N
XLogP3.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 115404395) is 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(-c3ccc(C)c(F)c3)nc2n1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is NXWSBVOIXSXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-9-4-5-12(7-13(9)16)14-8-19-11(3)6-10(2)17-15(19)18-14/h4-8H,1-3H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 255.30 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).