3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine

C17H26N6O — CID 124941563

IUPAC3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCCCCc1ncc(CN2CCO[C@@H](c3nccnc3NC)C2)[nH]1
InChIInChI=1S/C17H26N6O/c1-3-4-5-15-21-10-13(22-15)11-23-8-9-24-14(12-23)16-17(18-2)20-7-6-19-16/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1
InChIKeyAOFSVKXKHPVETL-CQSZACIVSA-N
MW330.44 g/mol
LogP2.16
Rot. Bonds7

About 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine

3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine (PubChem CID 124941563) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine
PubChem CID124941563
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCCCCc1ncc(CN2CCO[C@@H](c3nccnc3NC)C2)[nH]1
InChIInChI=1S/C17H26N6O/c1-3-4-5-15-21-10-13(22-15)11-23-8-9-24-14(12-23)16-17(18-2)20-7-6-19-16/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1
InChIKeyAOFSVKXKHPVETL-CQSZACIVSA-N
XLogP2.16
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030463
1-[2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124947645
N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110113016
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
CID 154908850
N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112883
N-methyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110113015
3-[4-[(5-methoxy-1H-indol-2-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113017
N-methyl-3-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112876
3-[4-(1H-indol-4-ylmethyl)morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113025
2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 125025801
3-[4-[3-(2-fluorophenoxy)propyl]morpholin-2-yl]-N-methylpyrazin-2-amine
CID 110113004
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine (CID 124941563) is 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine is CCCCc1ncc(CN2CCO[C@@H](c3nccnc3NC)C2)[nH]1.
What is the InChIKey of 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
The InChIKey is AOFSVKXKHPVETL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-4-5-15-21-10-13(22-15)11-23-8-9-24-14(12-23)16-17(18-2)20-7-6-19-16/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1.
What are the key properties of 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine?
3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 124941563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).