3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine

C17H20N6O — CID 124959756

IUPAC3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCn1c(CN2CCO[C@H](c3nccnc3N)C2)nc2ccccc21
InChIInChI=1S/C17H20N6O/c1-22-13-5-3-2-4-12(13)21-15(22)11-23-8-9-24-14(10-23)16-17(18)20-7-6-19-16/h2-7,14H,8-11H2,1H3,(H2,18,20)/t14-/m0/s1
InChIKeyGPOLEWHDQTXGDH-AWEZNQCLSA-N
MW324.39 g/mol
LogP1.52
Rot. Bonds3

About 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine

3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine (PubChem CID 124959756) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
PubChem CID124959756
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
SMILESCn1c(CN2CCO[C@H](c3nccnc3N)C2)nc2ccccc21
InChIInChI=1S/C17H20N6O/c1-22-13-5-3-2-4-12(13)21-15(22)11-23-8-9-24-14(10-23)16-17(18)20-7-6-19-16/h2-7,14H,8-11H2,1H3,(H2,18,20)/t14-/m0/s1
InChIKeyGPOLEWHDQTXGDH-AWEZNQCLSA-N
XLogP1.52
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 124959757
6-[(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124959514
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(4-methylpyrimidin-2-yl)morpholine
CID 124942629
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 96997039
2-methyl-4-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137166499
4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928079
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512374
3-[[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyrazin-2-amine
CID 125024022
3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyrazin-2-amine
CID 110112796
3-[4-[(6-methyl-3-pyridinyl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112764
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The IUPAC name of 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine (CID 124959756) is 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine is Cn1c(CN2CCO[C@H](c3nccnc3N)C2)nc2ccccc21.
What is the InChIKey of 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
The InChIKey is GPOLEWHDQTXGDH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-13-5-3-2-4-12(13)21-15(22)11-23-8-9-24-14(10-23)16-17(18)20-7-6-19-16/h2-7,14H,8-11H2,1H3,(H2,18,20)/t14-/m0/s1.
What are the key properties of 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine?
3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine has a molecular weight of 324.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 124959756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).