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

C20H20N8OS — CID 66825819

IUPAC5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCSCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C20H20N8OS/c1-30-12-28-11-14(9-25-28)17-26-18(27-29-17)20(5-2-6-20)15-3-4-16(22-10-15)13-7-23-19(21)24-8-13/h3-4,7-11H,2,5-6,12H2,1H3,(H2,21,23,24)
InChIKeyGOFYEFSGVHDNIZ-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.16
Rot. Bonds6

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

5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66825819) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66825819
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC Name5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCSCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C20H20N8OS/c1-30-12-28-11-14(9-25-28)17-26-18(27-29-17)20(5-2-6-20)15-3-4-16(22-10-15)13-7-23-19(21)24-8-13/h3-4,7-11H,2,5-6,12H2,1H3,(H2,21,23,24)
InChIKeyGOFYEFSGVHDNIZ-UHFFFAOYSA-N
XLogP3.16
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]prop-2-en-1-ol
CID 66828289
5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 71040651
5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 66780354
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 66828227
1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 66824640
5-[5-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943738
2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 66828240
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-(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
5-[5-[1-[5-[6-(cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943931

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66825819) is 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CSCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is GOFYEFSGVHDNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c1-30-12-28-11-14(9-25-28)17-26-18(27-29-17)20(5-2-6-20)15-3-4-16(22-10-15)13-7-23-19(21)24-8-13/h3-4,7-11H,2,5-6,12H2,1H3,(H2,21,23,24).
What are the key properties of 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 420.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66825819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).