2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine

C8H9N5OS — CID 141486722

IUPAC2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine
SMILESCSc1nnc(-c2cnc(C)nc2N)o1
InChIInChI=1S/C8H9N5OS/c1-4-10-3-5(6(9)11-4)7-12-13-8(14-7)15-2/h3H,1-2H3,(H2,9,10,11)
InChIKeyGFAJIOIWLHJSHL-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.14
Rot. Bonds2

About 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine

2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine (PubChem CID 141486722) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine
PubChem CID141486722
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine
SMILESCSc1nnc(-c2cnc(C)nc2N)o1
InChIInChI=1S/C8H9N5OS/c1-4-10-3-5(6(9)11-4)7-12-13-8(14-7)15-2/h3H,1-2H3,(H2,9,10,11)
InChIKeyGFAJIOIWLHJSHL-UHFFFAOYSA-N
XLogP1.14
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine (CID 141486722) is 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine is CSc1nnc(-c2cnc(C)nc2N)o1.
What is the InChIKey of 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
The InChIKey is GFAJIOIWLHJSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-4-10-3-5(6(9)11-4)7-12-13-8(14-7)15-2/h3H,1-2H3,(H2,9,10,11).
What are the key properties of 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine?
2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine has a molecular weight of 223.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 141486722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).