4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol

C13H15N3OS — CID 103060002

IUPAC4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol
SMILESCCNc1cnc(CSc2ccc(O)cc2)cn1
InChIInChI=1S/C13H15N3OS/c1-2-14-13-8-15-10(7-16-13)9-18-12-5-3-11(17)4-6-12/h3-8,17H,2,9H2,1H3,(H,14,16)
InChIKeyQUIYZLLPMOGKDY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.91
Rot. Bonds5

About 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol

4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol (PubChem CID 103060002) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol
PubChem CID103060002
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol
SMILESCCNc1cnc(CSc2ccc(O)cc2)cn1
InChIInChI=1S/C13H15N3OS/c1-2-14-13-8-15-10(7-16-13)9-18-12-5-3-11(17)4-6-12/h3-8,17H,2,9H2,1H3,(H,14,16)
InChIKeyQUIYZLLPMOGKDY-UHFFFAOYSA-N
XLogP2.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The IUPAC name of 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol (CID 103060002) is 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol is CCNc1cnc(CSc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol?
The InChIKey is QUIYZLLPMOGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-14-13-8-15-10(7-16-13)9-18-12-5-3-11(17)4-6-12/h3-8,17H,2,9H2,1H3,(H,14,16).
What are the key properties of 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol?
4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol has a molecular weight of 261.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)pyrazin-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 103060002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).