2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C15H23N5 — CID 136710128

IUPAC2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCCn1cc(C2CCNc3nc(C(C)(C)C)cn32)cn1
InChIInChI=1S/C15H23N5/c1-5-19-9-11(8-17-19)12-6-7-16-14-18-13(10-20(12)14)15(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,16,18)
InChIKeyCCSPAKOWKFPMGM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.80
Rot. Bonds2

About 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710128) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710128
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCCn1cc(C2CCNc3nc(C(C)(C)C)cn32)cn1
InChIInChI=1S/C15H23N5/c1-5-19-9-11(8-17-19)12-6-7-16-14-18-13(10-20(12)14)15(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,16,18)
InChIKeyCCSPAKOWKFPMGM-UHFFFAOYSA-N
XLogP2.80
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710137
2,5-ditert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710144
2-cyclopentyl-7-(1-ethylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841114
3-tert-butyl-5-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133493693
2-tert-butyl-5-(oxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136933911
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
methyl 7-(1-ethylpyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837842
1-ethyl-5-(1-ethylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 103571066
2-methyl-5-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710451
4-(2-benzylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570445
4-tert-butyl-2-(1-ethylpyrazol-4-yl)cyclohexan-1-amine
CID 81014852
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710128) is 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CCn1cc(C2CCNc3nc(C(C)(C)C)cn32)cn1.
What is the InChIKey of 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is CCSPAKOWKFPMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-19-9-11(8-17-19)12-6-7-16-14-18-13(10-20(12)14)15(2,3)4/h8-10,12H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 273.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-ethylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).