2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol

C15H21N5O2 — CID 100692453

IUPAC2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol
SMILESCc1nccn1C[C@H]1CCCN1c1cncc(OCCO)n1
InChIInChI=1S/C15H21N5O2/c1-12-17-4-6-19(12)11-13-3-2-5-20(13)14-9-16-10-15(18-14)22-8-7-21/h4,6,9-10,13,21H,2-3,5,7-8,11H2,1H3/t13-/m1/s1
InChIKeyXQFHJUDYOBVPCJ-CYBMUJFWSA-N
MW303.37 g/mol
LogP1.02
Rot. Bonds6

About 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol

2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol (PubChem CID 100692453) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol
PubChem CID100692453
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol
SMILESCc1nccn1C[C@H]1CCCN1c1cncc(OCCO)n1
InChIInChI=1S/C15H21N5O2/c1-12-17-4-6-19(12)11-13-3-2-5-20(13)14-9-16-10-15(18-14)22-8-7-21/h4,6,9-10,13,21H,2-3,5,7-8,11H2,1H3/t13-/m1/s1
InChIKeyXQFHJUDYOBVPCJ-CYBMUJFWSA-N
XLogP1.02
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 100691756
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
1-[6-(2-hydroxyethoxy)pyrazin-2-yl]-3-methylpiperidin-4-ol
CID 133498606
2-(bromomethyl)-1-(6-ethoxypyrazin-2-yl)azepane
CID 116638703
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
[1-(6-aminopyrazin-2-yl)pyrrolidin-2-yl]methanol
CID 79033972
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
N-benzyl-4-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxamide
CID 133428943

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol?
The IUPAC name of 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol (CID 100692453) is 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol.
What is the SMILES notation for 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol?
The canonical SMILES for 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol is Cc1nccn1C[C@H]1CCCN1c1cncc(OCCO)n1.
What is the InChIKey of 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol?
The InChIKey is XQFHJUDYOBVPCJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-12-17-4-6-19(12)11-13-3-2-5-20(13)14-9-16-10-15(18-14)22-8-7-21/h4,6,9-10,13,21H,2-3,5,7-8,11H2,1H3/t13-/m1/s1.
What are the key properties of 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol?
2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol has a molecular weight of 303.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]oxyethanol is sourced from PubChem (CID 100692453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).