N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine

C13H17N5O — CID 72932893

IUPACN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCc2noc(C3CCCC3)n2)nc1
InChIInChI=1S/C13H17N5O/c1-2-5-10(4-1)12-17-11(18-19-12)6-9-16-13-14-7-3-8-15-13/h3,7-8,10H,1-2,4-6,9H2,(H,14,15,16)
InChIKeySLERJOALCXHRME-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds5

About N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 72932893) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID72932893
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
SMILESc1cnc(NCCc2noc(C3CCCC3)n2)nc1
InChIInChI=1S/C13H17N5O/c1-2-5-10(4-1)12-17-11(18-19-12)6-9-16-13-14-7-3-8-15-13/h3,7-8,10H,1-2,4-6,9H2,(H,14,15,16)
InChIKeySLERJOALCXHRME-UHFFFAOYSA-N
XLogP2.17
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine (CID 72932893) is N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine is c1cnc(NCCc2noc(C3CCCC3)n2)nc1.
What is the InChIKey of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is SLERJOALCXHRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-5-10(4-1)12-17-11(18-19-12)6-9-16-13-14-7-3-8-15-13/h3,7-8,10H,1-2,4-6,9H2,(H,14,15,16).
What are the key properties of N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine?
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72932893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).