N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine

C10H17N3S — CID 107765491

IUPACN-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine
SMILESCNc1cncc(SC(C)C(C)C)n1
InChIInChI=1S/C10H17N3S/c1-7(2)8(3)14-10-6-12-5-9(11-4)13-10/h5-8H,1-4H3,(H,11,13)
InChIKeyXJOCNXBWPKEMAO-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine

N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine (PubChem CID 107765491) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine
PubChem CID107765491
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine
SMILESCNc1cncc(SC(C)C(C)C)n1
InChIInChI=1S/C10H17N3S/c1-7(2)8(3)14-10-6-12-5-9(11-4)13-10/h5-8H,1-4H3,(H,11,13)
InChIKeyXJOCNXBWPKEMAO-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine?
The IUPAC name of N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine (CID 107765491) is N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine?
The canonical SMILES for N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine is CNc1cncc(SC(C)C(C)C)n1.
What is the InChIKey of N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine?
The InChIKey is XJOCNXBWPKEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)8(3)14-10-6-12-5-9(11-4)13-10/h5-8H,1-4H3,(H,11,13).
What are the key properties of N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine?
N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylbutan-2-ylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 107765491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).