N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine

C18H22N6 — CID 125011127

IUPACN-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
SMILESCNc1cncc([C@@H]2CCCN2Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C18H22N6/c1-19-17-11-20-10-14(21-17)16-8-5-9-24(16)12-18-22-13-6-3-4-7-15(13)23(18)2/h3-4,6-7,10-11,16H,5,8-9,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyVNZJEMKZFNFHPY-INIZCTEOSA-N
MW322.42 g/mol
LogP2.74
Rot. Bonds4

About N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine

N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine (PubChem CID 125011127) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
PubChem CID125011127
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
SMILESCNc1cncc([C@@H]2CCCN2Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C18H22N6/c1-19-17-11-20-10-14(21-17)16-8-5-9-24(16)12-18-22-13-6-3-4-7-15(13)23(18)2/h3-4,6-7,10-11,16H,5,8-9,12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyVNZJEMKZFNFHPY-INIZCTEOSA-N
XLogP2.74
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
N-methyl-6-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-amine
CID 132776032
N-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 125003062
6-[(2R)-1-[[2-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996999
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
N-methyl-6-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine
CID 132775734
2-[[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 95751027
6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124996383
6-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951210
6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951209
1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315384
N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 110113781

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine (CID 125011127) is N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine is CNc1cncc([C@@H]2CCCN2Cc2nc3ccccc3n2C)n1.
What is the InChIKey of N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
The InChIKey is VNZJEMKZFNFHPY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N6/c1-19-17-11-20-10-14(21-17)16-8-5-9-24(16)12-18-22-13-6-3-4-7-15(13)23(18)2/h3-4,6-7,10-11,16H,5,8-9,12H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine?
N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine has a molecular weight of 322.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 125011127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).