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

C12H15N5OS — CID 172754630

IUPAC2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nc(C3CCC3)no2)n1
InChIInChI=1S/C12H15N5OS/c1-7-5-9(13)15-12(14-7)19-6-10-16-11(17-18-10)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyKVRYJSQVLJYKMJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.31
Rot. Bonds4

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

2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 172754630) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID172754630
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nc(C3CCC3)no2)n1
InChIInChI=1S/C12H15N5OS/c1-7-5-9(13)15-12(14-7)19-6-10-16-11(17-18-10)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H2,13,14,15)
InChIKeyKVRYJSQVLJYKMJ-UHFFFAOYSA-N
XLogP2.31
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 172754630) is 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCc2nc(C3CCC3)no2)n1.
What is the InChIKey of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is KVRYJSQVLJYKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7-5-9(13)15-12(14-7)19-6-10-16-11(17-18-10)8-3-2-4-8/h5,8H,2-4,6H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 277.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 172754630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).