N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C15H20N6O — CID 126887315

IUPACN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C15H20N6O/c1-2-11(1)15-20-19-14(22-15)9-21-7-4-12(5-8-21)18-13-3-6-16-10-17-13/h3,6,10-12H,1-2,4-5,7-9H2,(H,16,17,18)
InChIKeyXGIKZERRNPVVIY-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.81
Rot. Bonds5

About N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887315) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887315
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1
InChIInChI=1S/C15H20N6O/c1-2-11(1)15-20-19-14(22-15)9-21-7-4-12(5-8-21)18-13-3-6-16-10-17-13/h3,6,10-12H,1-2,4-5,7-9H2,(H,16,17,18)
InChIKeyXGIKZERRNPVVIY-UHFFFAOYSA-N
XLogP1.81
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887315) is N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)ncn1.
What is the InChIKey of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is XGIKZERRNPVVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-2-11(1)15-20-19-14(22-15)9-21-7-4-12(5-8-21)18-13-3-6-16-10-17-13/h3,6,10-12H,1-2,4-5,7-9H2,(H,16,17,18).
What are the key properties of N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).