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

C20H22N6O — CID 56848702

IUPAC5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cc2)cn1
InChIInChI=1S/C20H22N6O/c21-18-22-12-15(13-23-18)14-4-6-16(7-5-14)20(8-3-9-20)17-24-19(27-25-17)26-10-1-2-11-26/h4-7,12-13H,1-3,8-11H2,(H2,21,22,23)
InChIKeyVTZQEYGSKCJWEJ-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.18
Rot. Bonds4

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

5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 56848702) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID56848702
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cc2)cn1
InChIInChI=1S/C20H22N6O/c21-18-22-12-15(13-23-18)14-4-6-16(7-5-14)20(8-3-9-20)17-24-19(27-25-17)26-10-1-2-11-26/h4-7,12-13H,1-3,8-11H2,(H2,21,22,23)
InChIKeyVTZQEYGSKCJWEJ-UHFFFAOYSA-N
XLogP3.18
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine (CID 56848702) is 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cc2)cn1.
What is the InChIKey of 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is VTZQEYGSKCJWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c21-18-22-12-15(13-23-18)14-4-6-16(7-5-14)20(8-3-9-20)17-24-19(27-25-17)26-10-1-2-11-26/h4-7,12-13H,1-3,8-11H2,(H2,21,22,23).
What are the key properties of 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine?
5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 362.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56848702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).