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

C15H22N6O — CID 56717229

IUPACN-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
SMILESCCNc1ncc(-c2nc(CC3CCN(C)CC3)no2)cn1
InChIInChI=1S/C15H22N6O/c1-3-16-15-17-9-12(10-18-15)14-19-13(20-22-14)8-11-4-6-21(2)7-5-11/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyQDUNWYOIGFRKJU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.84
Rot. Bonds5

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

N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine (PubChem CID 56717229) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
PubChem CID56717229
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
SMILESCCNc1ncc(-c2nc(CC3CCN(C)CC3)no2)cn1
InChIInChI=1S/C15H22N6O/c1-3-16-15-17-9-12(10-18-15)14-19-13(20-22-14)8-11-4-6-21(2)7-5-11/h9-11H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyQDUNWYOIGFRKJU-UHFFFAOYSA-N
XLogP1.84
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine (CID 56717229) is N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine is CCNc1ncc(-c2nc(CC3CCN(C)CC3)no2)cn1.
What is the InChIKey of N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
The InChIKey is QDUNWYOIGFRKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-16-15-17-9-12(10-18-15)14-19-13(20-22-14)8-11-4-6-21(2)7-5-11/h9-11H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine?
N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 56717229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).