3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine

C14H17N3OS — CID 106679289

IUPAC3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine
SMILESCc1cccc(OCCCSc2nccnc2N)c1
InChIInChI=1S/C14H17N3OS/c1-11-4-2-5-12(10-11)18-8-3-9-19-14-13(15)16-6-7-17-14/h2,4-7,10H,3,8-9H2,1H3,(H2,15,16)
InChIKeyMEAXTQYGPITCBY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.93
Rot. Bonds6

About 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine

3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine (PubChem CID 106679289) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine
PubChem CID106679289
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine
SMILESCc1cccc(OCCCSc2nccnc2N)c1
InChIInChI=1S/C14H17N3OS/c1-11-4-2-5-12(10-11)18-8-3-9-19-14-13(15)16-6-7-17-14/h2,4-7,10H,3,8-9H2,1H3,(H2,15,16)
InChIKeyMEAXTQYGPITCBY-UHFFFAOYSA-N
XLogP2.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-chlorophenoxy)propylsulfanyl]pyrazin-2-amine
CID 106678769
2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine
CID 47095301
3-[3-(3-methylphenyl)sulfanylpropoxy]aniline
CID 61243243
4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
CID 43250574
4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide
CID 106678707
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
4-[3-(3-methylphenyl)sulfanylpropoxy]aniline
CID 61243241
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
4-[3-(3-methylphenoxy)propylsulfanyl]butanenitrile
CID 82531246
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
CID 40663342

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine (CID 106679289) is 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine is Cc1cccc(OCCCSc2nccnc2N)c1.
What is the InChIKey of 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine?
The InChIKey is MEAXTQYGPITCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11-4-2-5-12(10-11)18-8-3-9-19-14-13(15)16-6-7-17-14/h2,4-7,10H,3,8-9H2,1H3,(H2,15,16).
What are the key properties of 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine?
3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106679289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).