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

C15H22N6O2 — CID 99837558

IUPACN-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine
SMILESCCc1nnc(CN2CCC(Nc3nccc(OC)n3)CC2)o1
InChIInChI=1S/C15H22N6O2/c1-3-12-19-20-14(23-12)10-21-8-5-11(6-9-21)17-15-16-7-4-13(18-15)22-2/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,16,17,18)
InChIKeyWIRGYWOIECYWBI-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.51
Rot. Bonds6

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

N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine (PubChem CID 99837558) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine
PubChem CID99837558
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine
SMILESCCc1nnc(CN2CCC(Nc3nccc(OC)n3)CC2)o1
InChIInChI=1S/C15H22N6O2/c1-3-12-19-20-14(23-12)10-21-8-5-11(6-9-21)17-15-16-7-4-13(18-15)22-2/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,16,17,18)
InChIKeyWIRGYWOIECYWBI-UHFFFAOYSA-N
XLogP1.51
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine (CID 99837558) is N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine is CCc1nnc(CN2CCC(Nc3nccc(OC)n3)CC2)o1.
What is the InChIKey of N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine?
The InChIKey is WIRGYWOIECYWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-12-19-20-14(23-12)10-21-8-5-11(6-9-21)17-15-16-7-4-13(18-15)22-2/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine?
N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 99837558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).