[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine

C17H21BrN4O2S — CID 22744892

IUPAC[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine
SMILESCOc1ccc(Br)cc1CSc1nccnc1N1CCOC(CN)C1
InChIInChI=1S/C17H21BrN4O2S/c1-23-15-3-2-13(18)8-12(15)11-25-17-16(20-4-5-21-17)22-6-7-24-14(9-19)10-22/h2-5,8,14H,6-7,9-11,19H2,1H3
InChIKeyBGUFTVURYNRKEY-UHFFFAOYSA-N
MW425.35 g/mol
LogP2.70
Rot. Bonds6

About [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine

[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine (PubChem CID 22744892) has the molecular formula C17H21BrN4O2S and a molecular weight of 425.35 g/mol. Its IUPAC name is [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine
PubChem CID22744892
Molecular FormulaC17H21BrN4O2S
Molecular Weight425.35 g/mol
Exact Mass424.06
IUPAC Name[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine
SMILESCOc1ccc(Br)cc1CSc1nccnc1N1CCOC(CN)C1
InChIInChI=1S/C17H21BrN4O2S/c1-23-15-3-2-13(18)8-12(15)11-25-17-16(20-4-5-21-17)22-6-7-24-14(9-19)10-22/h2-5,8,14H,6-7,9-11,19H2,1H3
InChIKeyBGUFTVURYNRKEY-UHFFFAOYSA-N
XLogP2.70
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

[3-[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]piperazin-1-yl]propyl-dimethylazaniumyl]formate
CID 69204439
[(2R)-4-(3-bromophenyl)morpholin-2-yl]methanamine
CID 42079022
(4-thieno[3,2-c]pyridin-4-ylmorpholin-2-yl)methanamine
CID 61338182
[4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanamine
CID 79718053
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-piperazin-1-yl-6,7-dihydroquinoxaline
CID 22744916
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
CID 115538633
4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 119239770
(2S)-4-[3-(5-bromo-2-methoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125151330
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]methanamine
CID 104729881

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine (CID 22744892) is [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine is COc1ccc(Br)cc1CSc1nccnc1N1CCOC(CN)C1.
What is the InChIKey of [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine?
The InChIKey is BGUFTVURYNRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2S/c1-23-15-3-2-13(18)8-12(15)11-25-17-16(20-4-5-21-17)22-6-7-24-14(9-19)10-22/h2-5,8,14H,6-7,9-11,19H2,1H3.
What are the key properties of [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine?
[4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine has a molecular weight of 425.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]pyrazin-2-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 22744892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).