2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C15H19N3 — CID 136995436

IUPAC2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCCc1ccc(-c2nc3n(c2C)CCCN3)cc1
InChIInChI=1S/C15H19N3/c1-3-12-5-7-13(8-6-12)14-11(2)18-10-4-9-16-15(18)17-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyIGYAVUGZEVRJGJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.24
Rot. Bonds2

About 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136995436) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136995436
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCCc1ccc(-c2nc3n(c2C)CCCN3)cc1
InChIInChI=1S/C15H19N3/c1-3-12-5-7-13(8-6-12)14-11(2)18-10-4-9-16-15(18)17-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyIGYAVUGZEVRJGJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136995436) is 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CCc1ccc(-c2nc3n(c2C)CCCN3)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is IGYAVUGZEVRJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-12-5-7-13(8-6-12)14-11(2)18-10-4-9-16-15(18)17-14/h5-8H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 241.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136995436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).