3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine

C12H13N3OS — CID 106678642

IUPAC3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCOCc1ccccc1
InChIInChI=1S/C12H13N3OS/c13-11-12(15-7-6-14-11)17-9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14)
InChIKeyPWMJUYQQQVEUBK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.33
Rot. Bonds5

About 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine

3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine (PubChem CID 106678642) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine
PubChem CID106678642
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine
SMILESNc1nccnc1SCOCc1ccccc1
InChIInChI=1S/C12H13N3OS/c13-11-12(15-7-6-14-11)17-9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14)
InChIKeyPWMJUYQQQVEUBK-UHFFFAOYSA-N
XLogP2.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol
CID 106678826
4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine
CID 102939748
5-bromo-2-(phenylmethoxymethylsulfanyl)aniline
CID 102939764
3-chloro-4-(phenylmethoxymethylsulfanyl)aniline
CID 102939763
3-[(4-bromophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678727
3-[(4-iodophenyl)methylsulfanyl]pyrazin-2-amine
CID 106678528
CID 66734377
CID 66734377
4-(phenylmethoxymethyl)aniline
CID 11701294
3-[(1-methylpyrazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106679130
3-(phenylmethoxymethylsulfanyl)phenol
CID 102940288
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
CID 16579660
[2-(phenylmethoxymethyl)pyrimidin-4-yl]methanamine
CID 131115318

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine (CID 106678642) is 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine is Nc1nccnc1SCOCc1ccccc1.
What is the InChIKey of 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine?
The InChIKey is PWMJUYQQQVEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-11-12(15-7-6-14-11)17-9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,14).
What are the key properties of 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine?
3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 106678642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).