2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C14H25N3 — CID 136710144

IUPAC2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NCCC2C(C)(C)C
InChIInChI=1S/C14H25N3/c1-13(2,3)10-9-17-11(14(4,5)6)7-8-15-12(17)16-10/h9,11H,7-8H2,1-6H3,(H,15,16)
InChIKeyCARGAPUPVXMRGN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds

About 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710144) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710144
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NCCC2C(C)(C)C
InChIInChI=1S/C14H25N3/c1-13(2,3)10-9-17-11(14(4,5)6)7-8-15-12(17)16-10/h9,11H,7-8H2,1-6H3,(H,15,16)
InChIKeyCARGAPUPVXMRGN-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136933906
2-tert-butyl-5-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710122
2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136933911
2-tert-butyl-5-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710137
2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710128
2-tert-butyl-5-(3-fluoro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710154
(5R)-5-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 136911597
5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710020
4-tert-butyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 137012185
7-tert-butyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840343
5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710007
2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710212

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710144) is 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CC(C)(C)c1cn2c(n1)NCCC2C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is CARGAPUPVXMRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,3)10-9-17-11(14(4,5)6)7-8-15-12(17)16-10/h9,11H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).