6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine

C39H51N13 — CID 159090322

IUPAC6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cnc2[nH]ncc2c1.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncnn2c1
InChIInChI=1S/3C10H13N3.C9H12N4/c1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-9(2,3)7-4-10-8-11-6-12-13(8)5-7/h4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyKBZDIZVZBWRRPY-UHFFFAOYSA-N
MW701.93 g/mol
LogP7.73
Rot. Bonds

About 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 159090322) has the molecular formula C39H51N13 and a molecular weight of 701.93 g/mol. Its IUPAC name is 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID159090322
Molecular FormulaC39H51N13
Molecular Weight701.93 g/mol
Exact Mass701.44
IUPAC Name6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cnc2[nH]ncc2c1.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncnn2c1
InChIInChI=1S/3C10H13N3.C9H12N4/c1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-9(2,3)7-4-10-8-11-6-12-13(8)5-7/h4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3;4-6H,1-3H3
InChIKeyKBZDIZVZBWRRPY-UHFFFAOYSA-N
XLogP7.73
TPSA145.03 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500701.93
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

Savolitinib
CID 68289010
Ipivivint
CID 136213660
N-piperidin-4-yl-6-[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448970
8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10,11-pentazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300060
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705990
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705991
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine
CID 62706154
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-3-ylimidazo[1,2-a]pyridin-2-amine
CID 62706155
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706156
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706157
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(4-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706158
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-4-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706312

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 159090322) is 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)(C)c1cnc2[nH]ncc2c1.CC(C)(C)c1cnc2ccnn2c1.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncnn2c1.
What is the InChIKey of 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KBZDIZVZBWRRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13N3.C9H12N4/c1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8;1-9(2,3)7-4-10-8-11-6-12-13(8)5-7/h4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 701.93 g/mol, XLogP of 7.73, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-1H-pyrazolo[3,4-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 159090322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).