tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate

C19H22N6O2 — CID 142765500

IUPACtert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc3ncccn23)n1
InChIInChI=1S/C19H22N6O2/c1-19(2,3)27-18(26)25-8-4-6-15(25)13-10-20-11-14(23-13)16-12-22-17-21-7-5-9-24(16)17/h5,7,9-12,15H,4,6,8H2,1-3H3
InChIKeyQKTPNJVSXQOHDD-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.26
Rot. Bonds2

About tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 142765500) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate
PubChem CID142765500
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Nametert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc3ncccn23)n1
InChIInChI=1S/C19H22N6O2/c1-19(2,3)27-18(26)25-8-4-6-15(25)13-10-20-11-14(23-13)16-12-22-17-21-7-5-9-24(16)17/h5,7,9-12,15H,4,6,8H2,1-3H3
InChIKeyQKTPNJVSXQOHDD-UHFFFAOYSA-N
XLogP3.26
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
CID 110096967
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
tert-butyl 2-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 126492165
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
tert-butyl 2-[3-(4-iodophenyl)-1H-1,2,4-triazol-5-yl]pyrrolidine-1-carboxylate
CID 66629137
tert-butyl 2-(2-cyclopropylsulfonylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 175474084
tert-butyl (2S)-2-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
CID 114986170
tert-butyl (2S)-2-(3-chloropyrazin-2-yl)pyrrolidine-1-carboxylate
CID 124997181
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(6-phenylpyrimidin-4-yl)pyrrolidine-1-carboxylate
CID 118426415
tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945512
tert-butyl 2-[4-[6-[(6-methyl-3-pyridinyl)carbamoylamino]pyrazin-2-yl]phenyl]pyrrolidine-1-carboxylate
CID 146346866

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate (CID 142765500) is tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1cncc(-c2cnc3ncccn23)n1.
What is the InChIKey of tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is QKTPNJVSXQOHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-19(2,3)27-18(26)25-8-4-6-15(25)13-10-20-11-14(23-13)16-12-22-17-21-7-5-9-24(16)17/h5,7,9-12,15H,4,6,8H2,1-3H3.
What are the key properties of tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 366.43 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 142765500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).