2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine

C14H19N5 — CID 125011223

IUPAC2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine
SMILESCC(C)c1nccn1-c1cncc([C@@H]2CCCN2)n1
InChIInChI=1S/C14H19N5/c1-10(2)14-17-6-7-19(14)13-9-15-8-12(18-13)11-4-3-5-16-11/h6-11,16H,3-5H2,1-2H3/t11-/m0/s1
InChIKeyVORQKQMWWWICMN-NSHDSACASA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds3

About 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine

2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine (PubChem CID 125011223) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine
PubChem CID125011223
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine
SMILESCC(C)c1nccn1-c1cncc([C@@H]2CCCN2)n1
InChIInChI=1S/C14H19N5/c1-10(2)14-17-6-7-19(14)13-9-15-8-12(18-13)11-4-3-5-16-11/h6-11,16H,3-5H2,1-2H3/t11-/m0/s1
InChIKeyVORQKQMWWWICMN-NSHDSACASA-N
XLogP2.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperidin-1-yl)-6-pyrrolidin-2-ylpyrazine
CID 110271302
2-[(3S)-1-cyclopentylpiperidin-3-yl]-6-(2-propan-2-ylimidazol-1-yl)pyrazine
CID 95815785
2-(1-cyclohexylpiperidin-3-yl)-6-(2-propan-2-ylimidazol-1-yl)pyrazine
CID 110253561
2-piperidin-4-yl-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110089751
4,4-dimethyl-3-[6-[(2S)-pyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazolidin-2-one
CID 125008608
1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95815815
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95838299
N-methyl-6-[(2S)-pyrrolidin-2-yl]pyrazin-2-amine
CID 92615120
4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 110267789
2-(5-methyl-1H-imidazol-2-yl)-6-pyrrolidin-2-ylpyrazine
CID 175662403
2-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 96858276
2-imidazol-1-yl-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816194

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine (CID 125011223) is 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine is CC(C)c1nccn1-c1cncc([C@@H]2CCCN2)n1.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine?
The InChIKey is VORQKQMWWWICMN-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5/c1-10(2)14-17-6-7-19(14)13-9-15-8-12(18-13)11-4-3-5-16-11/h6-11,16H,3-5H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine?
2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine has a molecular weight of 257.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-6-[(2S)-pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 125011223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).