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

C13H17N5OS — CID 127639705

IUPAC2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nc(C3CCCC3)no2)n1
InChIInChI=1S/C13H17N5OS/c1-8-6-10(14)16-13(15-8)20-7-11-17-12(18-19-11)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyJVEPSXIVJCSWOK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.70
Rot. Bonds4

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

2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 127639705) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID127639705
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2nc(C3CCCC3)no2)n1
InChIInChI=1S/C13H17N5OS/c1-8-6-10(14)16-13(15-8)20-7-11-17-12(18-19-11)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,14,15,16)
InChIKeyJVEPSXIVJCSWOK-UHFFFAOYSA-N
XLogP2.70
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 127639705) is 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCc2nc(C3CCCC3)no2)n1.
What is the InChIKey of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is JVEPSXIVJCSWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8-6-10(14)16-13(15-8)20-7-11-17-12(18-19-11)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 127639705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).