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

C14H23N3O — CID 136933911

IUPAC2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NCCC2C1CCCO1
InChIInChI=1S/C14H23N3O/c1-14(2,3)12-9-17-10(11-5-4-8-18-11)6-7-15-13(17)16-12/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyAREVOOYJEIBSPV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.72
Rot. Bonds1

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

2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136933911) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136933911
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NCCC2C1CCCO1
InChIInChI=1S/C14H23N3O/c1-14(2,3)12-9-17-10(11-5-4-8-18-11)6-7-15-13(17)16-12/h9-11H,4-8H2,1-3H3,(H,15,16)
InChIKeyAREVOOYJEIBSPV-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136933911) is 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CC(C)(C)c1cn2c(n1)NCCC2C1CCCO1.
What is the InChIKey of 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is AREVOOYJEIBSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)12-9-17-10(11-5-4-8-18-11)6-7-15-13(17)16-12/h9-11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136933911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).