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

C19H16N8O — CID 56943934

IUPAC5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccncn5)n4)CCC3)cn2)cn1
InChIInChI=1S/C19H16N8O/c20-18-23-8-12(9-24-18)14-3-2-13(10-22-14)19(5-1-6-19)17-26-16(28-27-17)15-4-7-21-11-25-15/h2-4,7-11H,1,5-6H2,(H2,20,23,24)
InChIKeyYMYDZAVXHKVOES-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.43
Rot. Bonds4

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

5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56943934) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56943934
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5ccncn5)n4)CCC3)cn2)cn1
InChIInChI=1S/C19H16N8O/c20-18-23-8-12(9-24-18)14-3-2-13(10-22-14)19(5-1-6-19)17-26-16(28-27-17)15-4-7-21-11-25-15/h2-4,7-11H,1,5-6H2,(H2,20,23,24)
InChIKeyYMYDZAVXHKVOES-UHFFFAOYSA-N
XLogP2.43
TPSA129.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56943934) is 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5ccncn5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is YMYDZAVXHKVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O/c20-18-23-8-12(9-24-18)14-3-2-13(10-22-14)19(5-1-6-19)17-26-16(28-27-17)15-4-7-21-11-25-15/h2-4,7-11H,1,5-6H2,(H2,20,23,24).
What are the key properties of 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 372.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56943934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).