5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine

C10H11N5OS — CID 67252547

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(-c2nnc(C3CC3)o2)c(N)n1
InChIInChI=1S/C10H11N5OS/c1-17-10-12-4-6(7(11)13-10)9-15-14-8(16-9)5-2-3-5/h4-5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyXVPOEHPGXJXRGR-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.71
Rot. Bonds3

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 67252547) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID67252547
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1ncc(-c2nnc(C3CC3)o2)c(N)n1
InChIInChI=1S/C10H11N5OS/c1-17-10-12-4-6(7(11)13-10)9-15-14-8(16-9)5-2-3-5/h4-5H,2-3H2,1H3,(H2,11,12,13)
InChIKeyXVPOEHPGXJXRGR-UHFFFAOYSA-N
XLogP1.71
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine (CID 67252547) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine is CSc1ncc(-c2nnc(C3CC3)o2)c(N)n1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is XVPOEHPGXJXRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-17-10-12-4-6(7(11)13-10)9-15-14-8(16-9)5-2-3-5/h4-5H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 249.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 67252547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).