2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine

C13H17N5 — CID 125010299

IUPAC2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
SMILESCc1cncc([C@H]2CCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C13H17N5/c1-10-5-14-7-12(17-10)13-3-2-4-18(13)8-11-6-15-9-16-11/h5-7,9,13H,2-4,8H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyVIMNGQVRZBWSDP-CYBMUJFWSA-N
MW243.31 g/mol
LogP1.85
Rot. Bonds3

About 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine

2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine (PubChem CID 125010299) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
PubChem CID125010299
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
SMILESCc1cncc([C@H]2CCCN2Cc2cnc[nH]2)n1
InChIInChI=1S/C13H17N5/c1-10-5-14-7-12(17-10)13-3-2-4-18(13)8-11-6-15-9-16-11/h5-7,9,13H,2-4,8H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyVIMNGQVRZBWSDP-CYBMUJFWSA-N
XLogP1.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine
CID 125010300
4-[6-[(2S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 124964060
2-methyl-6-[(2S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-2-yl]pyrazine
CID 125006832
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-6-methylpyrazine
CID 110114099
2-methyl-6-[1-(oxan-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110096404
N-methyl-3-[[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 124965358
6-[(2S)-1-(1H-imidazol-5-ylmethyl)piperidin-2-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 124979708
1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 110117128
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
1-[4-hydroxy-4-[[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 110114145
1-[4-hydroxy-4-[[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 124995716

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine?
The IUPAC name of 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine (CID 125010299) is 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine?
The canonical SMILES for 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine is Cc1cncc([C@H]2CCCN2Cc2cnc[nH]2)n1.
What is the InChIKey of 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine?
The InChIKey is VIMNGQVRZBWSDP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N5/c1-10-5-14-7-12(17-10)13-3-2-4-18(13)8-11-6-15-9-16-11/h5-7,9,13H,2-4,8H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine?
2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine has a molecular weight of 243.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-6-methylpyrazine is sourced from PubChem (CID 125010299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).