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

C21H19N7OS — CID 71040651

IUPAC5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCSc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C21H19N7OS/c1-30-17-6-3-13(9-24-17)18-27-19(28-29-18)21(7-2-8-21)15-4-5-16(23-12-15)14-10-25-20(22)26-11-14/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)
InChIKeyOJSDHORCTPIZNM-UHFFFAOYSA-N
MW417.50 g/mol
LogP3.76
Rot. Bonds5

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

5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 71040651) has the molecular formula C21H19N7OS and a molecular weight of 417.50 g/mol. Its IUPAC name is 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID71040651
Molecular FormulaC21H19N7OS
Molecular Weight417.50 g/mol
Exact Mass417.14
IUPAC Name5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCSc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C21H19N7OS/c1-30-17-6-3-13(9-24-17)18-27-19(28-29-18)21(7-2-8-21)15-4-5-16(23-12-15)14-10-25-20(22)26-11-14/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)
InChIKeyOJSDHORCTPIZNM-UHFFFAOYSA-N
XLogP3.76
TPSA116.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943931
5-[5-[1-[5-[6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944423
5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825819
5-[5-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943738
5-[5-[1-[5-(5-methyl-2H-pyrrol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 157296478
5-[5-[1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943736
ethyl 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]acetate
CID 56944028
(3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 56944519
5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66824588
4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 66828369
[4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 123798298
(2S)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 56944421

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 71040651) is 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CSc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is OJSDHORCTPIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7OS/c1-30-17-6-3-13(9-24-17)18-27-19(28-29-18)21(7-2-8-21)15-4-5-16(23-12-15)14-10-25-20(22)26-11-14/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26).
What are the key properties of 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 417.50 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 71040651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).