2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine

C9H10N6S — CID 61295851

IUPAC2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2cnccn2)n1
InChIInChI=1S/C9H10N6S/c10-7-3-8(11)15-9(14-7)16-5-6-4-12-1-2-13-6/h1-4H,5H2,(H4,10,11,14,15)
InChIKeyXNFAADMBJHCHBI-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.72
Rot. Bonds3

About 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine

2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 61295851) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID61295851
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2cnccn2)n1
InChIInChI=1S/C9H10N6S/c10-7-3-8(11)15-9(14-7)16-5-6-4-12-1-2-13-6/h1-4H,5H2,(H4,10,11,14,15)
InChIKeyXNFAADMBJHCHBI-UHFFFAOYSA-N
XLogP0.72
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine (CID 61295851) is 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine is Nc1cc(N)nc(SCc2cnccn2)n1.
What is the InChIKey of 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is XNFAADMBJHCHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c10-7-3-8(11)15-9(14-7)16-5-6-4-12-1-2-13-6/h1-4H,5H2,(H4,10,11,14,15).
What are the key properties of 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine?
2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 234.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 61295851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).