2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C17H22FN3 — CID 136710154

IUPAC2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1ccc(C2CCNc3nc(C(C)(C)C)cn32)cc1F
InChIInChI=1S/C17H22FN3/c1-11-5-6-12(9-13(11)18)14-7-8-19-16-20-15(10-21(14)16)17(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,19,20)
InChIKeyXZZTVCDRXQWTLK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.03
Rot. Bonds1

About 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710154) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710154
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1ccc(C2CCNc3nc(C(C)(C)C)cn32)cc1F
InChIInChI=1S/C17H22FN3/c1-11-5-6-12(9-13(11)18)14-7-8-19-16-20-15(10-21(14)16)17(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,19,20)
InChIKeyXZZTVCDRXQWTLK-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710154) is 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is Cc1ccc(C2CCNc3nc(C(C)(C)C)cn32)cc1F.
What is the InChIKey of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is XZZTVCDRXQWTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-11-5-6-12(9-13(11)18)14-7-8-19-16-20-15(10-21(14)16)17(2,3)4/h5-6,9-10,14H,7-8H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 287.38 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).