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

C17H24N6O3 — CID 126888160

IUPAC6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1
InChIInChI=1S/C17H24N6O3/c1-24-16-8-14(18-11-19-16)20-13-2-5-23(6-3-13)9-15-21-17(26-22-15)12-4-7-25-10-12/h8,11-13H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyIVJCPCVCLOVMOT-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.45
Rot. Bonds6

About 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine

6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888160) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888160
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1
InChIInChI=1S/C17H24N6O3/c1-24-16-8-14(18-11-19-16)20-13-2-5-23(6-3-13)9-15-21-17(26-22-15)12-4-7-25-10-12/h8,11-13H,2-7,9-10H2,1H3,(H,18,19,20)
InChIKeyIVJCPCVCLOVMOT-UHFFFAOYSA-N
XLogP1.45
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126888160) is 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is IVJCPCVCLOVMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-24-16-8-14(18-11-19-16)20-13-2-5-23(6-3-13)9-15-21-17(26-22-15)12-4-7-25-10-12/h8,11-13H,2-7,9-10H2,1H3,(H,18,19,20).
What are the key properties of 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).