2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine

C11H13N5OS — CID 47158812

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nc(C3CC3)no2)n1
InChIInChI=1S/C11H13N5OS/c1-6-4-8(12)14-11(13-6)18-5-9-15-10(16-17-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyVIOIMCRZUMOUCX-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.92
Rot. Bonds4

About 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 47158812) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID47158812
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nc(C3CC3)no2)n1
InChIInChI=1S/C11H13N5OS/c1-6-4-8(12)14-11(13-6)18-5-9-15-10(16-17-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyVIOIMCRZUMOUCX-UHFFFAOYSA-N
XLogP1.92
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 47158812) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCc2nc(C3CC3)no2)n1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is VIOIMCRZUMOUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-6-4-8(12)14-11(13-6)18-5-9-15-10(16-17-9)7-2-3-7/h4,7H,2-3,5H2,1H3,(H2,12,13,14).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 263.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 47158812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).