5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine

C10H17N3S — CID 103059831

IUPAC5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine
SMILESCCC(C)SCc1cnc(NC)cn1
InChIInChI=1S/C10H17N3S/c1-4-8(2)14-7-9-5-13-10(11-3)6-12-9/h5-6,8H,4,7H2,1-3H3,(H,11,13)
InChIKeyOCTHFLQHUMRQHR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.55
Rot. Bonds5

About 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine

5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine (PubChem CID 103059831) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine
PubChem CID103059831
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine
SMILESCCC(C)SCc1cnc(NC)cn1
InChIInChI=1S/C10H17N3S/c1-4-8(2)14-7-9-5-13-10(11-3)6-12-9/h5-6,8H,4,7H2,1-3H3,(H,11,13)
InChIKeyOCTHFLQHUMRQHR-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine (CID 103059831) is 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine is CCC(C)SCc1cnc(NC)cn1.
What is the InChIKey of 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine?
The InChIKey is OCTHFLQHUMRQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-8(2)14-7-9-5-13-10(11-3)6-12-9/h5-6,8H,4,7H2,1-3H3,(H,11,13).
What are the key properties of 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine?
5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylsulfanylmethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 103059831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).