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

C15H25N3 — CID 136933906

IUPAC2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NCCC2C1CCCC1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-10-18-12(11-6-4-5-7-11)8-9-16-14(18)17-13/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyBNGPLQBUHWECDI-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.73
Rot. Bonds1

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

2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136933906) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136933906
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NCCC2C1CCCC1
InChIInChI=1S/C15H25N3/c1-15(2,3)13-10-18-12(11-6-4-5-7-11)8-9-16-14(18)17-13/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyBNGPLQBUHWECDI-UHFFFAOYSA-N
XLogP3.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710122
2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710144
(5R)-5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 136911595
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
5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136839837
5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710020
5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710007
tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 136839848
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
7-cyclopropyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709535

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136933906) is 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CC(C)(C)c1cn2c(n1)NCCC2C1CCCC1.
What is the InChIKey of 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is BNGPLQBUHWECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)13-10-18-12(11-6-4-5-7-11)8-9-16-14(18)17-13/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-tert-butyl-5-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 247.39 g/mol, XLogP of 3.73, 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-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136933906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).