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

C18H25N3 — CID 136710212

IUPAC2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)cc(C2CCn3cc(C(C)(C)C)nc3N2)c1
InChIInChI=1S/C18H25N3/c1-12-8-13(2)10-14(9-12)15-6-7-21-11-16(18(3,4)5)20-17(21)19-15/h8-11,15H,6-7H2,1-5H3,(H,19,20)
InChIKeyRYYGAKKHGKJPDG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.35
Rot. Bonds1

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

2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710212) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710212
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)cc(C2CCn3cc(C(C)(C)C)nc3N2)c1
InChIInChI=1S/C18H25N3/c1-12-8-13(2)10-14(9-12)15-6-7-21-11-16(18(3,4)5)20-17(21)19-15/h8-11,15H,6-7H2,1-5H3,(H,19,20)
InChIKeyRYYGAKKHGKJPDG-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710212) is 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is Cc1cc(C)cc(C2CCn3cc(C(C)(C)C)nc3N2)c1.
What is the InChIKey of 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is RYYGAKKHGKJPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-8-13(2)10-14(9-12)15-6-7-21-11-16(18(3,4)5)20-17(21)19-15/h8-11,15H,6-7H2,1-5H3,(H,19,20).
What are the key properties of 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 283.42 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).