5-(3-methylphenyl)sulfanylpyrazin-2-amine

C11H11N3S — CID 80664435

IUPAC5-(3-methylphenyl)sulfanylpyrazin-2-amine
SMILESCc1cccc(Sc2cnc(N)cn2)c1
InChIInChI=1S/C11H11N3S/c1-8-3-2-4-9(5-8)15-11-7-13-10(12)6-14-11/h2-7H,1H3,(H2,12,13)
InChIKeyXRXGUCBBUOFEAX-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.52
Rot. Bonds2

About 5-(3-methylphenyl)sulfanylpyrazin-2-amine

5-(3-methylphenyl)sulfanylpyrazin-2-amine (PubChem CID 80664435) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 5-(3-methylphenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name5-(3-methylphenyl)sulfanylpyrazin-2-amine
PubChem CID80664435
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name5-(3-methylphenyl)sulfanylpyrazin-2-amine
SMILESCc1cccc(Sc2cnc(N)cn2)c1
InChIInChI=1S/C11H11N3S/c1-8-3-2-4-9(5-8)15-11-7-13-10(12)6-14-11/h2-7H,1H3,(H2,12,13)
InChIKeyXRXGUCBBUOFEAX-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 121220739
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80650999
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
5-(3-methylphenyl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 157196587
5-(3-methylphenyl)sulfanylquinolin-8-amine
CID 61244888
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83124060
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]methanamine
CID 64588783
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80923478
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
(1S)-1-[5-(3-methylphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 113355234

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)sulfanylpyrazin-2-amine?
The IUPAC name of 5-(3-methylphenyl)sulfanylpyrazin-2-amine (CID 80664435) is 5-(3-methylphenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 5-(3-methylphenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for 5-(3-methylphenyl)sulfanylpyrazin-2-amine is Cc1cccc(Sc2cnc(N)cn2)c1.
What is the InChIKey of 5-(3-methylphenyl)sulfanylpyrazin-2-amine?
The InChIKey is XRXGUCBBUOFEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-8-3-2-4-9(5-8)15-11-7-13-10(12)6-14-11/h2-7H,1H3,(H2,12,13).
What are the key properties of 5-(3-methylphenyl)sulfanylpyrazin-2-amine?
5-(3-methylphenyl)sulfanylpyrazin-2-amine has a molecular weight of 217.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80664435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).